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Database: PDB
Entry: 2M0P
LinkDB: 2M0P
Original site: 2M0P 
HEADER    LIPID BINDING PROTEIN                   01-NOV-12   2M0P              
TITLE     SOLUTION STRUCTURE OF THE TENTH COMPLEMENT TYPE REPEAT OF HUMAN       
TITLE    2 MEGALIN                                                              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: LOW-DENSITY LIPOPROTEIN RECEPTOR-RELATED PROTEIN 2;        
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: LRP-2, GLYCOPROTEIN 330, GP330, MEGALIN;                    
COMPND   5 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: LRP2;                                                          
SOURCE   6 EXPRESSION_SYSTEM: KOMAGATAELLA PASTORIS;                            
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 4922;                                       
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PPICAC                                    
KEYWDS    COMPLEMENT TYPE REPEAT, RECEPTOR, MEGALIN, LDL RECEPTOR FAMILY, LRP2, 
KEYWDS   2 LIPID BINDING PROTEIN                                                
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    R.DAGIL,B.KRAGELUND                                                   
REVDAT   2   19-JUN-13 2M0P    1       JRNL                                     
REVDAT   1   09-JAN-13 2M0P    0                                                
JRNL        AUTH   R.DAGIL,C.O'SHEA,A.NYKJAR,A.M.BONVIN,B.B.KRAGELUND           
JRNL        TITL   GENTAMICIN BINDS TO THE MEGALIN RECEPTOR AS A COMPETITIVE    
JRNL        TITL 2 INHIBITOR USING THE COMMON LIGAND BINDING MOTIF OF           
JRNL        TITL 3 COMPLEMENT TYPE REPEATS: INSIGHT FROM THE NMR STRUCTURE OF   
JRNL        TITL 4 THE 10TH COMPLEMENT TYPE REPEAT DOMAIN ALONE AND IN COMPLEX  
JRNL        TITL 5 WITH GENTAMICIN.                                             
JRNL        REF    J.BIOL.CHEM.                  V. 288  4424 2013              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   23275343                                                     
JRNL        DOI    10.1074/JBC.M112.434159                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : ARIA                                                 
REMARK   3   AUTHORS     : LINGE, O'DONOGHUE AND NILGES                         
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2M0P COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-NOV-12.                  
REMARK 100 THE RCSB ID CODE IS RCSB103061.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 6.5                                
REMARK 210  IONIC STRENGTH                 : 0.2                                
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.6 MM [U-100% 13C; U-100% 15N]    
REMARK 210                                   CR10, 100 MM SODIUM CHLORIDE, 50   
REMARK 210                                   MM CALCIUM CHLORIDE, 50 MM TRIS,   
REMARK 210                                   0.1 MM DSS, 0.1 % SODIUM AZIDE,    
REMARK 210                                   90% H2O/10% D2O; 0.6 MM [U-100%    
REMARK 210                                   13C; U-100% 15N] CR10, 50 MM       
REMARK 210                                   CALCIUM CHLORIDE, 100 MM SODIUM    
REMARK 210                                   CHLORIDE, 50 MM TRIS, 0.1 MM DSS,  
REMARK 210                                   0.1 % SODIUM AZIDE, 100% D2O       
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 2D 1H-13C HSQC;    
REMARK 210                                   2D 1H-1H TOCSY AROMATIC; 3D HNCO;  
REMARK 210                                   3D HNCA; 3D HNCACB; 3D C(CO)NH;    
REMARK 210                                   3D CBCA(CO)NH; 3D HCCH-TOCSY; 3D   
REMARK 210                                   HN(CO)CA; 3D 1H-13C NOESY          
REMARK 210                                   ALIPHATIC; 2D 1H-13C NOESY         
REMARK 210                                   AROMATIC; 3D H(CCO)NH; 3D 1H-15N   
REMARK 210                                   NOESY; 3D 1H-15N TOCSY             
REMARK 210  SPECTROMETER FIELD STRENGTH    : 750 MHZ; 800 MHZ                   
REMARK 210  SPECTROMETER MODEL             : INOVA; AVANCE                      
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN; BRUKER                     
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : ANALYSIS 2.2, ARIA, NMRDRAW        
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 200                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
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: NULL                                                         
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: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
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 1-20                                                        
REMARK 465     RES C SSSEQI                                                     
REMARK 465     HIS A  1149                                                      
REMARK 465     HIS A  1150                                                      
REMARK 465     HIS A  1151                                                      
REMARK 465     HIS A  1152                                                      
REMARK 465     HIS A  1153                                                      
REMARK 465     HIS A  1154                                                      
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 CYS A1109     -163.93     61.73                                   
REMARK 500  1 THR A1146       45.61    -91.52                                   
REMARK 500  2 HIS A1104       76.70     64.15                                   
REMARK 500  2 CYS A1109     -168.48     60.55                                   
REMARK 500  2 ASN A1132       48.54    -84.48                                   
REMARK 500  2 ASN A1142       74.16   -114.26                                   
REMARK 500  2 CYS A1143      -63.79   -141.79                                   
REMARK 500  2 ASN A1144       15.98   -157.35                                   
REMARK 500  3 ASN A1118       25.56    -79.16                                   
REMARK 500  3 CYS A1143       10.12   -140.66                                   
REMARK 500  3 THR A1146       34.60    -88.63                                   
REMARK 500  4 ASN A1142       53.80    -93.39                                   
REMARK 500  4 ASN A1144     -175.87     50.45                                   
REMARK 500  4 SER A1145     -166.60     53.43                                   
REMARK 500  4 THR A1146       42.76    -89.93                                   
REMARK 500  5 ALA A1107       39.63    -80.31                                   
REMARK 500  5 HIS A1119       83.79     66.72                                   
REMARK 500  5 ASN A1132       36.21    -86.31                                   
REMARK 500  5 CYS A1134      154.20     73.26                                   
REMARK 500  5 ASP A1136      -47.15   -158.25                                   
REMARK 500  5 SER A1145      168.50     58.94                                   
REMARK 500  6 SER A1108       37.33    -85.19                                   
REMARK 500  6 ASN A1142       43.31    -81.69                                   
REMARK 500  6 CYS A1143      -54.29   -171.76                                   
REMARK 500  6 THR A1146       47.89    -89.11                                   
REMARK 500  7 HIS A1104       84.54     64.22                                   
REMARK 500  7 LEU A1110      151.26    -48.01                                   
REMARK 500  7 CYS A1143      114.56   -170.23                                   
REMARK 500  7 ASN A1144       58.83     38.08                                   
REMARK 500  7 SER A1145      -81.69    -69.87                                   
REMARK 500  8 CYS A1143      -42.59   -179.81                                   
REMARK 500  9 HIS A1104       93.70     64.20                                   
REMARK 500  9 ASN A1118       30.12    -88.44                                   
REMARK 500  9 ASP A1136      -35.59   -164.91                                   
REMARK 500  9 ASN A1144       36.55   -150.83                                   
REMARK 500 10 THR A1146       45.92    -79.50                                   
REMARK 500 11 HIS A1104       94.94     61.80                                   
REMARK 500 11 CYS A1143       46.09   -162.92                                   
REMARK 500 12 HIS A1104      -58.25     71.29                                   
REMARK 500 12 CYS A1143       59.19    -96.36                                   
REMARK 500 13 ALA A1107       37.35    -93.99                                   
REMARK 500 13 SER A1145      -82.19    -77.50                                   
REMARK 500 14 HIS A1104      -38.28   -168.91                                   
REMARK 500 14 CYS A1109     -166.97   -101.88                                   
REMARK 500 15 ASN A1118       33.37    -92.60                                   
REMARK 500 15 ASP A1133      -39.14   -133.66                                   
REMARK 500 15 CYS A1134       34.76    -77.09                                   
REMARK 500 15 ASN A1144       65.43     39.08                                   
REMARK 500 15 SER A1145      133.97     60.20                                   
REMARK 500 15 THR A1146       98.24    -68.30                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      61 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                           1  CA A1201  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP A1139   OD2                                                    
REMARK 620 2 ASP A1129   OD1 152.5                                              
REMARK 620 3 ASP A1133   OD2 109.6  93.1                                        
REMARK 620 4 GLU A1140   OE2  77.4  84.2 165.8                                  
REMARK 620 5 ASP A1131   O   116.3  80.9  82.9  82.9                            
REMARK 620 6 TRP A1126   O    86.1  76.0  95.8  97.1 156.8                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 1201                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 2I1P   RELATED DB: PDB                                   
REMARK 900 SOLUTION STRUCTURE OF THE TWELFTH CYSTEINE-RICH LIGAND-              
REMARK 900 BINDING REPEAT IN RAT MEGALIN                                        
REMARK 900 RELATED ID: 2FYJ   RELATED DB: PDB                                   
REMARK 900 NMR SOLUTION STRUCTURE OF CALCIUM-LOADED LRP DOUBLE MODULE           
REMARK 900 RELATED ID: 18816   RELATED DB: BMRB                                 
DBREF  2M0P A 1103  1148  UNP    P98164   LRP2_HUMAN    1103   1148             
SEQADV 2M0P HIS A 1149  UNP  P98164              EXPRESSION TAG                 
SEQADV 2M0P HIS A 1150  UNP  P98164              EXPRESSION TAG                 
SEQADV 2M0P HIS A 1151  UNP  P98164              EXPRESSION TAG                 
SEQADV 2M0P HIS A 1152  UNP  P98164              EXPRESSION TAG                 
SEQADV 2M0P HIS A 1153  UNP  P98164              EXPRESSION TAG                 
SEQADV 2M0P HIS A 1154  UNP  P98164              EXPRESSION TAG                 
SEQRES   1 A   52  THR HIS ALA PRO ALA SER CYS LEU ASP THR GLN TYR THR          
SEQRES   2 A   52  CYS ASP ASN HIS GLN CYS ILE SER LYS ASN TRP VAL CYS          
SEQRES   3 A   52  ASP THR ASP ASN ASP CYS GLY ASP GLY SER ASP GLU LYS          
SEQRES   4 A   52  ASN CYS ASN SER THR GLU THR HIS HIS HIS HIS HIS HIS          
HET     CA  A1201       1                                                       
HETNAM      CA CALCIUM ION                                                      
FORMUL   2   CA    CA 2+                                                        
HELIX    1   1 GLY A 1137  ASN A 1142  1                                   6    
SHEET    1   A 2 GLN A1113  THR A1115  0                                        
SHEET    2   A 2 CYS A1121  SER A1123 -1  O  ILE A1122   N  TYR A1114           
SSBOND   1 CYS A 1109    CYS A 1121                          1555   1555  2.03  
SSBOND   2 CYS A 1116    CYS A 1134                          1555   1555  2.02  
SSBOND   3 CYS A 1128    CYS A 1143                          1555   1555  2.03  
LINK         OD2 ASP A1139                CA    CA A1201     1555   1555  2.17  
LINK         OD1 ASP A1129                CA    CA A1201     1555   1555  2.19  
LINK         OD2 ASP A1133                CA    CA A1201     1555   1555  2.22  
LINK         OE2 GLU A1140                CA    CA A1201     1555   1555  2.25  
LINK         O   ASP A1131                CA    CA A1201     1555   1555  2.25  
LINK         O   TRP A1126                CA    CA A1201     1555   1555  2.28  
SITE     1 AC1  6 TRP A1126  ASP A1129  ASP A1131  ASP A1133                    
SITE     2 AC1  6 ASP A1139  GLU A1140                                          
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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