GenomeNet

Database: PDB
Entry: 2MSE
LinkDB: 2MSE
Original site: 2MSE 
HEADER    LIPID BINDING PROTEIN                   29-JUL-14   2MSE              
TITLE     NMR DATA-DRIVEN MODEL OF GTPASE KRAS-GNP:ARAFRBD COMPLEX TETHERED TO A
TITLE    2 LIPID-BILAYER NANODISC                                               
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: APOLIPOPROTEIN A-I;                                        
COMPND   3 CHAIN: A, C;                                                         
COMPND   4 FRAGMENT: UNP RESIDUES 68-265;                                       
COMPND   5 SYNONYM: APO-AI, APOA-I, APOLIPOPROTEIN A1, PROAPOLIPOPROTEIN A-I,   
COMPND   6 PROAPOA-I, TRUNCATED APOLIPOPROTEIN A-I, APOLIPOPROTEIN A-I(1-242);  
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MOL_ID: 2;                                                           
COMPND   9 MOLECULE: V-KI-RAS2 KIRSTEN RAT SARCOMA VIRAL ONCOGENE HOMOLOG,      
COMPND  10 ISOFORM CRA_B;                                                       
COMPND  11 CHAIN: B;                                                            
COMPND  12 FRAGMENT: UNP RESIDUES 1-185;                                        
COMPND  13 SYNONYM: K-RAS;                                                      
COMPND  14 ENGINEERED: YES;                                                     
COMPND  15 MOL_ID: 3;                                                           
COMPND  16 MOLECULE: SERINE/THREONINE-PROTEIN KINASE A-RAF;                     
COMPND  17 CHAIN: D;                                                            
COMPND  18 FRAGMENT: UNP RESIDUES 19-91;                                        
COMPND  19 SYNONYM: PROTO-ONCOGENE A-RAF, PROTO-ONCOGENE A-RAF-1, PROTO-ONCOGENE
COMPND  20 PKS;                                                                 
COMPND  21 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: APOA1;                                                         
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGBHPS MSP;                               
SOURCE  10 MOL_ID: 2;                                                           
SOURCE  11 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  12 ORGANISM_COMMON: HUMAN;                                              
SOURCE  13 ORGANISM_TAXID: 9606;                                                
SOURCE  14 GENE: HCG_14731, KRAS;                                               
SOURCE  15 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  16 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  17 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  18 EXPRESSION_SYSTEM_PLASMID: PET-28;                                   
SOURCE  19 MOL_ID: 3;                                                           
SOURCE  20 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  21 ORGANISM_COMMON: HUMAN;                                              
SOURCE  22 ORGANISM_TAXID: 9606;                                                
SOURCE  23 GENE: ARAF, ARAF1, PKS, PKS2;                                        
SOURCE  24 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  25 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  26 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  27 EXPRESSION_SYSTEM_PLASMID: PGEX-4TPGEX-4T22                          
KEYWDS    K-RAS, NANODISC, PRE, DOCKING, A-RAFRBD, LIPID BINDING PROTEIN        
EXPDTA    SOLUTION NMR                                                          
NUMMDL    10                                                                    
AUTHOR    M.MAZHAB-JAFARI,P.STATHOPOULOS,C.MARSHALL,M.IKURA                     
REVDAT   2   10-JUN-15 2MSE    1       JRNL                                     
REVDAT   1   03-JUN-15 2MSE    0                                                
JRNL        AUTH   M.T.MAZHAB-JAFARI,C.B.MARSHALL,M.J.SMITH,G.M.GASMI-SEABROOK, 
JRNL        AUTH 2 P.B.STATHOPULOS,F.INAGAKI,L.E.KAY,B.G.NEEL,M.IKURA           
JRNL        TITL   ONCOGENIC AND RASOPATHY-ASSOCIATED K-RAS MUTATIONS RELIEVE   
JRNL        TITL 2 MEMBRANE-DEPENDENT OCCLUSION OF THE EFFECTOR-BINDING SITE.   
JRNL        REF    PROC.NATL.ACAD.SCI.USA        V. 112  6625 2015              
JRNL        REFN                   ISSN 0027-8424                               
JRNL        PMID   25941399                                                     
JRNL        DOI    10.1073/PNAS.1419895112                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS                                                  
REMARK   3   AUTHORS     : BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ         
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2MSE COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-MAY-15.                  
REMARK 100 THE RCSB ID CODE IS RCSB103994.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 7.4                                
REMARK 210  IONIC STRENGTH                 : 0.105                              
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.6 MM U-15N, ILE C-DELTA-13C K-   
REMARK 210  RAS, 0.6 MM MEMBRANE SCAFFOLD PROTEIN, 0.7 MM A-RAFRBD, 100 MM      
REMARK 210  SODIUM CHLORIDE, 5 MM MAGNESIUM, 20 MM TRIS, 2 MM TCEP, 0.6 MM      
REMARK 210  PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, 18.75 MM 1,2-          
REMARK 210  DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 5 MM 1,2-DIOLEOYL-SN-         
REMARK 210  GLYCERO-3-PHOSPHO-L-SERINE, 1.25 MM 1,2-DIOLEOYL-SN-GLYCERO-3-      
REMARK 210  PHOSPHOETHANOLAMINE-N-[4-(P-MALEIMIDOMETHYL)CYCLOHEXANE-            
REMARK 210  CARBOXAMIDE], 90% H2O/10% D2O; 0.7 MM K-RAS, 0.7 MM MEMBRANE        
REMARK 210  SCAFFOLD PROTEIN, 0.6 MM U-15N, ILE C-DELTA-13C A-RAFRBD, 5 MM      
REMARK 210  MAGNESIUM, 20 MM TRIS, 100 MM SODIUM CHLORIDE, 2 MM TCEP, 0.7 MM    
REMARK 210  PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, 18.75 MM 1,2-          
REMARK 210  DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 5 MM 1,2-DIOLEOYL-SN-         
REMARK 210  GLYCERO-3-PHOSPHO-L-SERINE, 1.25 MM 1,2-DIOLEOYL-SN-GLYCERO-3-      
REMARK 210  PHOSPHOETHANOLAMINE-N-[4-(P-MALEIMIDOMETHYL)CYCLOHEXANE-            
REMARK 210  CARBOXAMIDE], 90% H2O/10% D2O; 0.6 MM U-15N, ILE C-DELTA-13C K-     
REMARK 210  RAS, 0.7 MM A-RAFRBD, 0.6 MM MEMBRANE SCAFFOLD PROTEIN, 20 MM       
REMARK 210  TRIS, 100 MM SODIUM CHLORIDE, 5 MM MAGNESIUM, 2 MM TCEP, 0.6 MM     
REMARK 210  PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, 18.75 MM 1,2-          
REMARK 210  DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 5 MM 1,2-DIOLEOYL-SN-         
REMARK 210  GLYCERO-3-PHOSPHO-L-SERINE, 1.25 MM 1,2-DIOLEOYL-SN-GLYCERO-3-      
REMARK 210  PHOSPHOETHANOLAMINE-N-[4-(P-MALEIMIDOMETHYL)CYCLOHEXANE-            
REMARK 210  CARBOXAMIDE], 0.65 MM 1,2-DISTEAROYL-SN-GLYCERO-3-                  
REMARK 210  PHOSPHOETHANOLAMINE-N-DIETHYLENETRIAMINEPENTAACETIC ACID            
REMARK 210  (GADOLINIUM SALT), 90% H2O/10% D2O; 0.7 MM K-RAS, 0.6 MM U-15N,     
REMARK 210  ILE C-DELTA-13C A-RAFRBD, 0.7 MM MEMBRANE SCAFFOLD PROTEIN, 20 MM   
REMARK 210  TRIS, 100 MM SODIUM CHLORIDE, 5 MM MAGNESIUM, 2 MM TCEP, 0.7 MM     
REMARK 210  PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, 18.75 MM 1,2-          
REMARK 210  DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 5 MM 1,2-DIOLEOYL-SN-         
REMARK 210  GLYCERO-3-PHOSPHO-L-SERINE, 1.25 MM 1,2-DIOLEOYL-SN-GLYCERO-3-      
REMARK 210  PHOSPHOETHANOLAMINE-N-[4-(P-MALEIMIDOMETHYL)CYCLOHEXANE-            
REMARK 210  CARBOXAMIDE], 0.65 MM 1,2-DISTEAROYL-SN-GLYCERO-3-                  
REMARK 210  PHOSPHOETHANOLAMINE-N-DIETHYLENETRIAMINEPENTAACETIC ACID            
REMARK 210  (GADOLINIUM SALT), 90% H2O/10% D2O                                  
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-13C HMQC                     
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CNS, NMRPIPE, NMRDRAW, SPARKY,     
REMARK 210                                   TOPSPIN, CHARMM-GUI, HADDOCK       
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 3000                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 10                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST ENERGY  
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: ALL PRE MEASUREMENTS WERE CARRRIED OUT ON THE C-DELTA OF     
REMARK 210  ILE RESIDUES.                                                       
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C, B, D                            
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;                   
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                            
REMARK 465   MODELS 1-10                                                        
REMARK 465     RES C SSSEQI                                                     
REMARK 465     GLY A   199                                                      
REMARK 465     PRO A   200                                                      
REMARK 465     GLY C   397                                                      
REMARK 465     PRO C   398                                                      
REMARK 465     GLY B    -1                                                      
REMARK 465     SER B     0                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   OD2  ASP B    57    MG     MG B   202              1.54            
REMARK 500   OD2  ASP B    38    MG     MG B   202              1.63            
REMARK 500   OG1  THR B    35    MG     MG B   202              1.68            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500  1 GLU C 440      -61.00    -91.93                                   
REMARK 500  1 LYS C 473      -54.20   -124.58                                   
REMARK 500  1 LYS C 563      -75.73   -113.62                                   
REMARK 500  1 ILE B  24      -78.36    -73.00                                   
REMARK 500  1 ILE B  36      -53.98   -126.34                                   
REMARK 500  1 GLU B  63      -74.18    -84.78                                   
REMARK 500  1 TYR B  64       87.32   -158.38                                   
REMARK 500  1 LYS B 178       62.50     65.97                                   
REMARK 500  1 LYS B 180       95.15     62.07                                   
REMARK 500  1 SER B 181      -57.91   -121.29                                   
REMARK 500  1 LYS B 182     -160.30     62.15                                   
REMARK 500  1 THR B 183      -41.23   -140.21                                   
REMARK 500  1 PRO D 815        0.64    -67.75                                   
REMARK 500  1 ASP D 826       37.38    -91.70                                   
REMARK 500  1 GLN D 845       21.50    -78.42                                   
REMARK 500  2 LYS A 363      -46.38   -131.10                                   
REMARK 500  2 LYS A 365      -72.77   -108.79                                   
REMARK 500  2 LYS C 473      -67.30   -121.46                                   
REMARK 500  2 THR C 516       22.74    -79.75                                   
REMARK 500  2 HIS C 517      -43.48   -138.95                                   
REMARK 500  2 LYS C 563      -73.87   -105.88                                   
REMARK 500  2 TYR B  32       79.96   -105.43                                   
REMARK 500  2 PRO B  34     -172.84    -69.16                                   
REMARK 500  2 GLU B  63     -160.49   -115.59                                   
REMARK 500  2 LYS B 117       46.05     71.99                                   
REMARK 500  2 LYS B 182       38.49    -87.21                                   
REMARK 500  2 ASN D 816       33.48   -163.47                                   
REMARK 500  2 ASP D 846      -71.74   -118.79                                   
REMARK 500  2 CYS D 847       32.45    -92.73                                   
REMARK 500  3 LYS A 365      -69.24   -104.98                                   
REMARK 500  3 LYS C 473      -50.29   -123.00                                   
REMARK 500  3 LYS C 495      -57.60   -125.59                                   
REMARK 500  3 LYS C 563      -70.29   -103.59                                   
REMARK 500  3 ALA B  11     -140.55    -84.12                                   
REMARK 500  3 ILE B  36      -53.12   -121.42                                   
REMARK 500  3 GLU B  76      -60.60    -99.86                                   
REMARK 500  3 LYS B 180       85.36     75.74                                   
REMARK 500  3 LYS B 182      166.94     64.54                                   
REMARK 500  3 ASP D 846      -74.57   -102.80                                   
REMARK 500  3 LEU D 853       51.86   -105.04                                   
REMARK 500  4 LYS A 297      -42.14   -133.07                                   
REMARK 500  4 LYS A 365      -71.72   -106.79                                   
REMARK 500  4 LYS C 473      -57.71   -120.51                                   
REMARK 500  4 HIS C 510      -55.68   -128.97                                   
REMARK 500  4 LYS C 563      -70.11   -119.87                                   
REMARK 500  4 LEU C 595       49.46    -85.77                                   
REMARK 500  4 THR B  35      141.47   -173.33                                   
REMARK 500  4 ILE B  36      -66.56   -121.92                                   
REMARK 500  4 GLU B  63     -161.46   -118.67                                   
REMARK 500  4 PRO B 110      101.76    -59.63                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     141 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 1                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 2                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 3                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 4                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 5                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 6                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 7                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 8                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 9                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 10                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 11                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 12                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 13                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 14                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 15                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 16                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 17                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 18                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 19                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 20                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 21                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 22                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 23                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 24                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 25                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 26                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 27                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 28                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 29                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 30                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 31                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 32                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 17F A 33                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 17F A 34                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 17F A 35                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 17F A 36                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 17F A 37                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 17F A 38                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 17F A 39                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 17F A 40                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 41                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 42                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 43                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 44                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 45                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: FC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 46                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: FC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 47                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: FC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 48                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: FC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 49                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: FC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 50                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: FC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 51                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: FC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 52                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: FC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 53                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: FC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 54                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: GC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 55                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: GC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 56                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: GC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 57                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: GC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 58                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: GC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 59                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: GC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 60                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: GC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 61                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: GC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 62                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: GC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 63                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: HC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 64                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: HC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 65                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: HC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 66                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: HC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 67                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: HC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 68                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: HC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 69                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: HC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 70                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: HC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 71                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: HC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCW A 72                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: IC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 17F A 73                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: IC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 17F A 74                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: IC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 17F A 75                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: IC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 17F A 76                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: IC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 17F A 77                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: IC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 17F A 78                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: IC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 17F A 79                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: IC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 17F A 80                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: IC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GNP B 201                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: JC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG B 202                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 25116   RELATED DB: BMRB                                 
REMARK 900 RELATED ID: 2MSC   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 2MSD   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 2M4A   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 2M4B   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 1AV1   RELATED DB: PDB                                   
REMARK 900 HADDOCK STARTING STRUCTURE FOR CHAIN A AND C IN THIS                 
REMARK 900 STRUCTURE                                                            
REMARK 900 RELATED ID: 3GFT   RELATED DB: PDB                                   
REMARK 900 HADDOCK STARTING STRUCTURE FOR CHAIN B IN THIS STRUCTURE             
REMARK 900 RELATED ID: 4DSN   RELATED DB: PDB                                   
REMARK 900 HADDOCK STARTING STRUCTURE FOR CHAIN B IN THIS STRUCTURE             
DBREF  2MSE A  201   398  UNP    P02647   APOA1_HUMAN     68    265             
DBREF  2MSE C  399   596  UNP    P02647   APOA1_HUMAN     68    265             
DBREF1 2MSE B    1   185  UNP                  A0A024RAV5_HUMAN                 
DBREF2 2MSE B     A0A024RAV5                          1         185             
DBREF  2MSE D  808   880  UNP    P10398   ARAF_HUMAN      19     91             
SEQADV 2MSE GLY A  199  UNP  P02647              EXPRESSION TAG                 
SEQADV 2MSE PRO A  200  UNP  P02647              EXPRESSION TAG                 
SEQADV 2MSE GLY C  397  UNP  P02647              EXPRESSION TAG                 
SEQADV 2MSE PRO C  398  UNP  P02647              EXPRESSION TAG                 
SEQADV 2MSE GLY B   -1  UNP  A0A024RAV           EXPRESSION TAG                 
SEQADV 2MSE SER B    0  UNP  A0A024RAV           EXPRESSION TAG                 
SEQRES   1 A  200  GLY PRO LEU LYS LEU LEU ASP ASN TRP ASP SER VAL THR          
SEQRES   2 A  200  SER THR PHE SER LYS LEU ARG GLU GLN LEU GLY PRO VAL          
SEQRES   3 A  200  THR GLN GLU PHE TRP ASP ASN LEU GLU LYS GLU THR GLU          
SEQRES   4 A  200  GLY LEU ARG GLN GLU MET SER LYS ASP LEU GLU GLU VAL          
SEQRES   5 A  200  LYS ALA LYS VAL GLN PRO TYR LEU ASP ASP PHE GLN LYS          
SEQRES   6 A  200  LYS TRP GLN GLU GLU MET GLU LEU TYR ARG GLN LYS VAL          
SEQRES   7 A  200  GLU PRO LEU ARG ALA GLU LEU GLN GLU GLY ALA ARG GLN          
SEQRES   8 A  200  LYS LEU HIS GLU LEU GLN GLU LYS LEU SER PRO LEU GLY          
SEQRES   9 A  200  GLU GLU MET ARG ASP ARG ALA ARG ALA HIS VAL ASP ALA          
SEQRES  10 A  200  LEU ARG THR HIS LEU ALA PRO TYR SER ASP GLU LEU ARG          
SEQRES  11 A  200  GLN ARG LEU ALA ALA ARG LEU GLU ALA LEU LYS GLU ASN          
SEQRES  12 A  200  GLY GLY ALA ARG LEU ALA GLU TYR HIS ALA LYS ALA THR          
SEQRES  13 A  200  GLU HIS LEU SER THR LEU SER GLU LYS ALA LYS PRO ALA          
SEQRES  14 A  200  LEU GLU ASP LEU ARG GLN GLY LEU LEU PRO VAL LEU GLU          
SEQRES  15 A  200  SER PHE LYS VAL SER PHE LEU SER ALA LEU GLU GLU TYR          
SEQRES  16 A  200  THR LYS LYS LEU ASN                                          
SEQRES   1 C  200  GLY PRO LEU LYS LEU LEU ASP ASN TRP ASP SER VAL THR          
SEQRES   2 C  200  SER THR PHE SER LYS LEU ARG GLU GLN LEU GLY PRO VAL          
SEQRES   3 C  200  THR GLN GLU PHE TRP ASP ASN LEU GLU LYS GLU THR GLU          
SEQRES   4 C  200  GLY LEU ARG GLN GLU MET SER LYS ASP LEU GLU GLU VAL          
SEQRES   5 C  200  LYS ALA LYS VAL GLN PRO TYR LEU ASP ASP PHE GLN LYS          
SEQRES   6 C  200  LYS TRP GLN GLU GLU MET GLU LEU TYR ARG GLN LYS VAL          
SEQRES   7 C  200  GLU PRO LEU ARG ALA GLU LEU GLN GLU GLY ALA ARG GLN          
SEQRES   8 C  200  LYS LEU HIS GLU LEU GLN GLU LYS LEU SER PRO LEU GLY          
SEQRES   9 C  200  GLU GLU MET ARG ASP ARG ALA ARG ALA HIS VAL ASP ALA          
SEQRES  10 C  200  LEU ARG THR HIS LEU ALA PRO TYR SER ASP GLU LEU ARG          
SEQRES  11 C  200  GLN ARG LEU ALA ALA ARG LEU GLU ALA LEU LYS GLU ASN          
SEQRES  12 C  200  GLY GLY ALA ARG LEU ALA GLU TYR HIS ALA LYS ALA THR          
SEQRES  13 C  200  GLU HIS LEU SER THR LEU SER GLU LYS ALA LYS PRO ALA          
SEQRES  14 C  200  LEU GLU ASP LEU ARG GLN GLY LEU LEU PRO VAL LEU GLU          
SEQRES  15 C  200  SER PHE LYS VAL SER PHE LEU SER ALA LEU GLU GLU TYR          
SEQRES  16 C  200  THR LYS LYS LEU ASN                                          
SEQRES   1 B  187  GLY SER MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA          
SEQRES   2 B  187  GLY GLY VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE          
SEQRES   3 B  187  GLN ASN HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU          
SEQRES   4 B  187  ASP SER TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR          
SEQRES   5 B  187  CYS LEU LEU ASP ILE LEU ASP THR ALA GLY GLN GLU GLU          
SEQRES   6 B  187  TYR SER ALA MET ARG ASP GLN TYR MET ARG THR GLY GLU          
SEQRES   7 B  187  GLY PHE LEU CYS VAL PHE ALA ILE ASN ASN THR LYS SER          
SEQRES   8 B  187  PHE GLU ASP ILE HIS HIS TYR ARG GLU GLN ILE LYS ARG          
SEQRES   9 B  187  VAL LYS ASP SER GLU ASP VAL PRO MET VAL LEU VAL GLY          
SEQRES  10 B  187  ASN LYS CYS ASP LEU PRO SER ARG THR VAL ASP THR LYS          
SEQRES  11 B  187  GLN ALA GLN ASP LEU ALA ARG SER TYR GLY ILE PRO PHE          
SEQRES  12 B  187  ILE GLU THR SER ALA LYS THR ARG GLN GLY VAL ASP ASP          
SEQRES  13 B  187  ALA PHE TYR THR LEU VAL ARG GLU ILE ARG LYS HIS LYS          
SEQRES  14 B  187  GLU LYS MET SER LYS ASP GLY LYS LYS LYS LYS LYS LYS          
SEQRES  15 B  187  SER LYS THR LYS CYS                                          
SEQRES   1 D   73  GLY THR VAL LYS VAL TYR LEU PRO ASN LYS GLN ARG THR          
SEQRES   2 D   73  VAL VAL THR VAL ARG ASP GLY MET SER VAL TYR ASP SER          
SEQRES   3 D   73  LEU ASP LYS ALA LEU LYS VAL ARG GLY LEU ASN GLN ASP          
SEQRES   4 D   73  CYS CYS VAL VAL TYR ARG LEU ILE LYS GLY ARG LYS THR          
SEQRES   5 D   73  VAL THR ALA TRP ASP THR ALA ILE ALA PRO LEU ASP GLY          
SEQRES   6 D   73  GLU GLU LEU ILE VAL GLU VAL LEU                              
HET    PCW  A   1      54                                                       
HET    PCW  A   2      54                                                       
HET    PCW  A   3      54                                                       
HET    PCW  A   4      54                                                       
HET    PCW  A   5      54                                                       
HET    PCW  A   6      54                                                       
HET    PCW  A   7      54                                                       
HET    PCW  A   8      54                                                       
HET    PCW  A   9      54                                                       
HET    PCW  A  10      54                                                       
HET    PCW  A  11      54                                                       
HET    PCW  A  12      54                                                       
HET    PCW  A  13      54                                                       
HET    PCW  A  14      54                                                       
HET    PCW  A  15      54                                                       
HET    PCW  A  16      54                                                       
HET    PCW  A  17      54                                                       
HET    PCW  A  18      54                                                       
HET    PCW  A  19      54                                                       
HET    PCW  A  20      54                                                       
HET    PCW  A  21      54                                                       
HET    PCW  A  22      54                                                       
HET    PCW  A  23      54                                                       
HET    PCW  A  24      54                                                       
HET    PCW  A  25      54                                                       
HET    PCW  A  26      54                                                       
HET    PCW  A  27      54                                                       
HET    PCW  A  28      54                                                       
HET    PCW  A  29      54                                                       
HET    PCW  A  30      54                                                       
HET    PCW  A  31      54                                                       
HET    PCW  A  32      54                                                       
HET    17F  A  33      54                                                       
HET    17F  A  34      54                                                       
HET    17F  A  35      54                                                       
HET    17F  A  36      54                                                       
HET    17F  A  37      54                                                       
HET    17F  A  38      54                                                       
HET    17F  A  39      54                                                       
HET    17F  A  40      54                                                       
HET    PCW  A  41      54                                                       
HET    PCW  A  42      54                                                       
HET    PCW  A  43      54                                                       
HET    PCW  A  44      54                                                       
HET    PCW  A  45      54                                                       
HET    PCW  A  46      54                                                       
HET    PCW  A  47      54                                                       
HET    PCW  A  48      54                                                       
HET    PCW  A  49      54                                                       
HET    PCW  A  50      54                                                       
HET    PCW  A  51      54                                                       
HET    PCW  A  52      54                                                       
HET    PCW  A  53      54                                                       
HET    PCW  A  54      54                                                       
HET    PCW  A  55      54                                                       
HET    PCW  A  56      54                                                       
HET    PCW  A  57      54                                                       
HET    PCW  A  58      54                                                       
HET    PCW  A  59      54                                                       
HET    PCW  A  60      54                                                       
HET    PCW  A  61      54                                                       
HET    PCW  A  62      54                                                       
HET    PCW  A  63      54                                                       
HET    PCW  A  64      54                                                       
HET    PCW  A  65      54                                                       
HET    PCW  A  66      54                                                       
HET    PCW  A  67      54                                                       
HET    PCW  A  68      54                                                       
HET    PCW  A  69      54                                                       
HET    PCW  A  70      54                                                       
HET    PCW  A  71      54                                                       
HET    PCW  A  72      54                                                       
HET    17F  A  73      54                                                       
HET    17F  A  74      54                                                       
HET    17F  A  75      54                                                       
HET    17F  A  76      54                                                       
HET    17F  A  77      54                                                       
HET    17F  A  78      54                                                       
HET    17F  A  79      54                                                       
HET    17F  A  80      54                                                       
HET    GNP  B 201      32                                                       
HET     MG  B 202       1                                                       
HETNAM     PCW 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE                         
HETNAM     17F O-[(S)-({(2R)-2,3-BIS[(9Z)-OCTADEC-9-                            
HETNAM   2 17F  ENOYLOXY]PROPYL}OXY)(HYDROXY)PHOSPHORYL]-L-SERINE               
HETNAM     GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER                      
HETNAM      MG MAGNESIUM ION                                                    
HETSYN     PCW (Z,Z)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-[(1-OXO-9-              
HETSYN   2 PCW  OCTADECENYL)OXY]-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-18-EN-          
HETSYN   3 PCW  1-AMINIUM-4-OXIDE                                               
HETSYN     17F 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHO-L-SERINE                       
FORMUL   5  PCW    64(C44 H85 N O8 P 1+)                                        
FORMUL  37  17F    16(C42 H78 N O10 P)                                          
FORMUL  85  GNP    C10 H17 N6 O13 P3                                            
FORMUL  86   MG    MG 2+                                                        
HELIX    1   1 LEU A  201  SER A  299  1                                  99    
HELIX    2   2 SER A  299  LYS A  365  1                                  67    
HELIX    3   3 LYS A  365  ASN A  398  1                                  34    
HELIX    4   4 LYS C  400  GLY C  420  1                                  21    
HELIX    5   5 GLY C  420  THR C  516  1                                  97    
HELIX    6   6 HIS C  517  LYS C  563  1                                  47    
HELIX    7   7 LYS C  563  LEU C  595  1                                  33    
HELIX    8   8 GLY B   15  GLN B   25  1                                  11    
HELIX    9   9 SER B   65  THR B   74  1                                  10    
HELIX   10  10 ASN B   86  ASP B  105  1                                  20    
HELIX   11  11 ASP B  126  GLY B  138  1                                  13    
HELIX   12  12 GLY B  151  LYS B  172  1                                  22    
HELIX   13  13 SER D  829  VAL D  840  1                                  12    
HELIX   14  14 ILE D  867  ASP D  871  5                                   5    
SHEET    1   A 6 GLU B  37  ILE B  46  0                                        
SHEET    2   A 6 GLU B  49  THR B  58 -1  O  LEU B  53   N  LYS B  42           
SHEET    3   A 6 THR B   2  GLY B  10  1  N  THR B   2   O  LEU B  52           
SHEET    4   A 6 GLY B  77  ALA B  83  1  O  GLY B  77   N  VAL B   7           
SHEET    5   A 6 MET B 111  ASN B 116  1  O  VAL B 114   N  PHE B  82           
SHEET    6   A 6 PHE B 141  GLU B 143  1  O  ILE B 142   N  LEU B 113           
SHEET    1   B 2 THR D 809  LEU D 814  0                                        
SHEET    2   B 2 GLN D 818  THR D 823 -1  O  GLN D 818   N  LEU D 814           
SHEET    1   C 3 ARG D 857  VAL D 860  0                                        
SHEET    2   C 3 CYS D 848  ILE D 854 -1  N  ARG D 852   O  THR D 859           
SHEET    3   C 3 ILE D 876  VAL D 879 -1  O  GLU D 878   N  VAL D 849           
LINK         OD1 ASP B  38                MG    MG B 202     1555   1555  1.75  
SITE     1 AC1  4 PCW A  26  PCW A  28  17F A  35  17F A  38                    
SITE     1 AC2  5 PCW A   5  PCW A  17  PCW A  21  TYR A 349                    
SITE     2 AC2  5 HIS A 356                                                     
SITE     1 AC3  3 PCW A  18  LEU A 283  LYS A 290                               
SITE     1 AC4  3 PCW A   7  PCW A  16  TYR A 393                               
SITE     1 AC5  5 PCW A   2  PCW A  17  17F A  36  17F A  38                    
SITE     2 AC5  5 17F A  40                                                     
SITE     1 AC6  4 PCW A  16  PCW A  24  PCW A  28  17F A  39                    
SITE     1 AC7  2 PCW A   4  PCW A  16                                          
SITE     1 AC8  3 PCW A  22  PCW A  27  17F A  37                               
SITE     1 AC9  7 PCW A  11  PCW A  14  PCW A  26  PCW A  28                    
SITE     2 AC9  7 PCW A  29  PCW A  30  17F A  34                               
SITE     1 BC1  3 PCW A  12  PCW A  21  17F A  36                               
SITE     1 BC2  3 PCW A   9  PCW A  25  PCW A  63                               
SITE     1 BC3  8 PCW A  10  PCW A  22  PCW A  30  ILE D 854                    
SITE     2 BC3  8 LYS D 855  ARG D 857  LYS D 858  THR D 859                    
SITE     1 BC4  6 PCW A  14  PCW A  18  PCW A  23  PCW A  27                    
SITE     2 BC4  6 17F A  34  17F A  37                                          
SITE     1 BC5  7 PCW A   9  PCW A  13  PCW A  23  17F A  34                    
SITE     2 BC5  7 17F A  37  TYR D 813  LYS D 817                               
SITE     1 BC6  4 PCW A  16  17F A  39  PHE A 214  LYS B 184                    
SITE     1 BC7  6 PCW A   4  PCW A   6  PCW A   7  PCW A  15                    
SITE     2 BC7  6 17F A  39  LYS B 184                                          
SITE     1 BC8  4 PCW A   2  PCW A   5  17F A  36  17F A  38                    
SITE     1 BC9  6 PCW A   3  PCW A  13  PCW A  27  17F A  37                    
SITE     2 BC9  6 GLU D 878  VAL D 879                                          
SITE     1 CC1  3 PCW A  29  MET B   1  GLU B   3                               
SITE     1 CC2  6 PCW A  31  SER B 106  LYS B 175  LYS B 176                    
SITE     2 CC2  6 SER B 181  CYS B 185                                          
SITE     1 CC3  3 PCW A   2  PCW A  10  17F A  36                               
SITE     1 CC4  3 PCW A   8  PCW A  12  ARG D 857                               
SITE     1 CC5  6 PCW A  13  PCW A  14  17F A  34  PRO D 815                    
SITE     2 CC5  6 LYS D 817  GLU D 878                                          
SITE     1 CC6  3 PCW A   6  PCW A  25  VAL B 103                               
SITE     1 CC7  6 PCW A  11  PCW A  24  PCW A  29  PCW A  31                    
SITE     2 CC7  6 GLU B   3  GLU B  76                                          
SITE     1 CC8  4 PCW A   1  PCW A   9  PCW A  28  17F A  40                    
SITE     1 CC9  6 PCW A   8  PCW A  13  PCW A  18  17F A  37                    
SITE     2 CC9  6 TYR D 851  GLU D 878                                          
SITE     1 DC1  4 PCW A   1  PCW A   6  PCW A   9  PCW A  26                    
SITE     1 DC2  6 PCW A   9  PCW A  19  PCW A  25  THR B   2                    
SITE     2 DC2  6 TYR B   4  GLU B  49                                          
SITE     1 DC3  9 PCW A   9  PCW A  12  17F A  34  17F A  40                    
SITE     2 DC3  9 LEU D 853  LYS D 855  GLY D 856  ARG D 857                    
SITE     3 DC3  9 ILE D 876                                                     
SITE     1 DC4  4 PCW A  20  PCW A  25  LYS B 167  LYS B 175                    
SITE     1 DC5  3 17F A  33  17F A  35  17F A  38                               
SITE     1 DC6  2 PCW A  32  17F A  35                                          
SITE     1 DC7  7 PCW A   9  PCW A  13  PCW A  14  PCW A  23                    
SITE     2 DC7  7 PCW A  30  LYS D 858  ILE D 876                               
SITE     1 DC8  3 PCW A   1  PCW A  32  17F A  33                               
SITE     1 DC9  6 PCW A   5  PCW A  10  PCW A  17  PCW A  21                    
SITE     2 DC9  6 17F A  40  LYS D 855                                          
SITE     1 EC1  7 PCW A   8  PCW A  13  PCW A  14  PCW A  18                    
SITE     2 EC1  7 PCW A  27  ARG D 857  LYS D 858                               
SITE     1 EC2  4 PCW A   1  PCW A   5  PCW A  17  PCW A  32                    
SITE     1 EC3  3 PCW A   6  PCW A  15  PCW A  16                               
SITE     1 EC4  7 PCW A   5  PCW A  26  PCW A  30  17F A  36                    
SITE     2 EC4  7 LEU D 853  LYS D 855  GLY D 856                               
SITE     1 EC5  5 PCW A  52  PCW A  58  PCW A  59  PCW A  60                    
SITE     2 EC5  5 PCW A  61                                                     
SITE     1 EC6  4 PCW A  52  PCW A  63  PCW A  69  17F A  75                    
SITE     1 EC7  3 PCW A  68  PCW A  69  17F A  75                               
SITE     1 EC8  3 PCW A  53  PCW A  55  17F A  77                               
SITE     1 EC9  4 PCW A  47  PCW A  49  PCW A  57  17F A  74                    
SITE     1 FC1  2 PCW A  71  17F A  73                                          
SITE     1 FC2  3 PCW A  45  17F A  73  17F A  76                               
SITE     1 FC3  2 PCW A  54  PCW A  58                                          
SITE     1 FC4  5 PCW A  45  PCW A  57  PCW A  65  17F A  79                    
SITE     2 FC4  5 17F A  80                                                     
SITE     1 FC5  1 17F A  78                                                     
SITE     1 FC6  3 PCW A  56  PCW A  70  PCW A  71                               
SITE     1 FC7  5 PCW A  41  PCW A  42  PCW A  58  PCW A  60                    
SITE     2 FC7  5 PCW A  63                                                     
SITE     1 FC8  3 PCW A  44  PCW A  55  PCW A  64                               
SITE     1 FC9  3 PCW A  48  PCW A  62  PCW A  72                               
SITE     1 GC1  5 PCW A  44  PCW A  53  PCW A  64  17F A  77                    
SITE     2 GC1  5 TRP C 405                                                     
SITE     1 GC2  3 PCW A  51  PCW A  68  PCW A  70                               
SITE     1 GC3  3 PCW A  45  PCW A  49  17F A  80                               
SITE     1 GC4  4 PCW A  41  PCW A  48  PCW A  52  PCW A  60                    
SITE     1 GC5  3 PCW A  41  PCW A  61  17F A  77                               
SITE     1 GC6  4 PCW A  41  PCW A  52  PCW A  58  PCW A  63                    
SITE     1 GC7  2 PCW A  41  PCW A  59                                          
SITE     1 GC8  4 PCW A  54  PCW A  67  PCW A  72  17F A  78                    
SITE     1 GC9  6 PCW A  11  PCW A  42  PCW A  52  PCW A  60                    
SITE     2 GC9  6 PCW A  67  17F A  75                                          
SITE     1 HC1  2 PCW A  53  PCW A  55                                          
SITE     1 HC2  2 PCW A  49  17F A  80                                          
SITE     1 HC3  3 PCW A  67  17F A  78  17F A  79                               
SITE     1 HC4  4 PCW A  62  PCW A  63  PCW A  66  17F A  78                    
SITE     1 HC5  3 PCW A  43  PCW A  56  PCW A  69                               
SITE     1 HC6  3 PCW A  42  PCW A  43  PCW A  68                               
SITE     1 HC7  3 PCW A  51  PCW A  56  PCW A  71                               
SITE     1 HC8  4 PCW A  46  PCW A  51  PCW A  70  17F A  73                    
SITE     1 HC9  2 PCW A  54  PCW A  62                                          
SITE     1 IC1  4 PCW A  46  PCW A  47  PCW A  71  17F A  76                    
SITE     1 IC2  3 PCW A  45  17F A  75  17F A  79                               
SITE     1 IC3  4 PCW A  42  PCW A  43  PCW A  63  17F A  74                    
SITE     1 IC4  2 PCW A  47  17F A  73                                          
SITE     1 IC5  4 PCW A  44  PCW A  55  PCW A  59  THR C 592                    
SITE     1 IC6  4 PCW A  50  PCW A  62  PCW A  66  PCW A  67                    
SITE     1 IC7  3 PCW A  49  PCW A  66  17F A  74                               
SITE     1 IC8  3 PCW A  49  PCW A  57  PCW A  65                               
SITE     1 IC9 16 GLY B  12  GLY B  13  GLY B  15  LYS B  16                    
SITE     2 IC9 16 SER B  17  ALA B  18  VAL B  29  ASP B  30                    
SITE     3 IC9 16 GLU B  31  TYR B  32  ASP B  33  PRO B  34                    
SITE     4 IC9 16 THR B  35  ASN B 116  ALA B 146  LYS B 147                    
SITE     1 JC1  3 THR B  35  ASP B  38  ASP B  57                               
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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