GenomeNet

Database: PDB
Entry: 2LP1
LinkDB: 2LP1
Original site: 2LP1 
HEADER    MEMBRANE PROTEIN                        30-JAN-12   2LP1              
TITLE     THE SOLUTION NMR STRUCTURE OF THE TRANSMEMBRANE C-TERMINAL DOMAIN OF  
TITLE    2 THE AMYLOID PRECURSOR PROTEIN (C99)                                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: C99;                                                       
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 683-728;                                      
COMPND   5 SYNONYM: AMYLOID BETA A4 PROTEIN, ABPP, APPI, APP, ALZHEIMER DISEASE 
COMPND   6 AMYLOID PROTEIN, CEREBRAL VASCULAR AMYLOID PEPTIDE, CVAP, PREA4,     
COMPND   7 PROTEASE NEXIN-II, PN-II;                                            
COMPND   8 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: A4, AD1, APP;                                                  
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET-21A                                    
KEYWDS    AMYLOID PRECURSOR PROTEIN C-TERMINAL FRAGMENT, ALZHEIMER'S DISEASE,   
KEYWDS   2 MEMBRANE PROTEIN, AMYLOID-BETA PRECURSOR, TRANSMEMBRANE PROTEIN      
EXPDTA    SOLUTION NMR                                                          
NUMMDL    30                                                                    
AUTHOR    P.J.BARRETT,Y.SONG,W.D.VAN HORN,E.J.HUSTEDT,J.M.SCHAFER,              
AUTHOR   2 A.HADZISELIMOVIC,A.J.BEEL,C.R.SANDERS                                
REVDAT   2   20-JUN-12 2LP1    1       JRNL                                     
REVDAT   1   06-JUN-12 2LP1    0                                                
JRNL        AUTH   P.J.BARRETT,Y.SONG,W.D.VAN HORN,E.J.HUSTEDT,J.M.SCHAFER,     
JRNL        AUTH 2 A.HADZISELIMOVIC,A.J.BEEL,C.R.SANDERS                        
JRNL        TITL   THE AMYLOID PRECURSOR PROTEIN HAS A FLEXIBLE TRANSMEMBRANE   
JRNL        TITL 2 DOMAIN AND BINDS CHOLESTEROL.                                
JRNL        REF    SCIENCE                       V. 336  1168 2012              
JRNL        REFN                   ISSN 0036-8075                               
JRNL        PMID   22654059                                                     
JRNL        DOI    10.1126/SCIENCE.1219988                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR_NIH 2.24                                      
REMARK   3   AUTHORS     : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE             
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: RESTRAINED MOLECULAR DYNAMICS WITH        
REMARK   3  SIMULATED ANNEALING, FOLLOWED BY POWELL ENERGY MINIMIZATION         
REMARK   4                                                                      
REMARK   4 2LP1 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-FEB-12.                  
REMARK 100 THE RCSB ID CODE IS RCSB102654.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 318                                
REMARK 210  PH                             : 6.5                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 10 % LYSO MYRISTOYL                
REMARK 210                                   PHOSPHATIDYLGLYCEROL, 10 % [U-2H]  
REMARK 210                                   D2O, 100 MM IMIDAZOLE, 250 UM [U-  
REMARK 210                                   100% 15N] APP_C99, 1 MM EDTA, 90%  
REMARK 210                                   H2O/10% D2O                        
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC-TROSY; 3D HNCA;     
REMARK 210                                   3D HNCACB; 3D HN(CO)CA; 3D         
REMARK 210                                   HN(COCA)CB; 3D HNCO; 3D            
REMARK 210                                   GNOESYNHSQC                        
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ; 600 MHZ; 900 MHZ          
REMARK 210  SPECTROMETER MODEL             : AMX; INOVA                         
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER; VARIAN                     
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : X-PLOR_NIH 2.24, NMRDRAW LINUX9,   
REMARK 210                                   SPARKY 3.114, NMRPIPE LINUX9,      
REMARK 210                                   TALOS LINUX9, PROCHECKNMR 3.5.4,   
REMARK 210                                   TOPSPIN 3                          
REMARK 210   METHOD USED                   : MOLECULAR DYNAMICS, SIMULATED      
REMARK 210                                   ANNEALING                          
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 30                                 
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 2D AND 3D EXPERIMENTS WERE TROSY BASED. FOR THE RDC      
REMARK 210  DATA COLLECTION, THE TROSY/SEMI-TROSY METHOD WAS USED.              
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 1-30                                                        
REMARK 465     RES C SSSEQI                                                     
REMARK 465     MET A   671                                                      
REMARK 465     ASP A   672                                                      
REMARK 465     ALA A   673                                                      
REMARK 465     GLU A   674                                                      
REMARK 465     PHE A   675                                                      
REMARK 465     ARG A   676                                                      
REMARK 465     HIS A   677                                                      
REMARK 465     ASP A   678                                                      
REMARK 465     SER A   679                                                      
REMARK 465     GLY A   680                                                      
REMARK 465     TYR A   681                                                      
REMARK 465     GLU A   682                                                      
REMARK 465     THR A   729                                                      
REMARK 465     SER A   730                                                      
REMARK 465     ILE A   731                                                      
REMARK 465     HIS A   732                                                      
REMARK 465     HIS A   733                                                      
REMARK 465     GLY A   734                                                      
REMARK 465     VAL A   735                                                      
REMARK 465     VAL A   736                                                      
REMARK 465     GLU A   737                                                      
REMARK 465     VAL A   738                                                      
REMARK 465     ASP A   739                                                      
REMARK 465     ALA A   740                                                      
REMARK 465     ALA A   741                                                      
REMARK 465     VAL A   742                                                      
REMARK 465     THR A   743                                                      
REMARK 465     PRO A   744                                                      
REMARK 465     GLU A   745                                                      
REMARK 465     GLU A   746                                                      
REMARK 465     ARG A   747                                                      
REMARK 465     HIS A   748                                                      
REMARK 465     LEU A   749                                                      
REMARK 465     SER A   750                                                      
REMARK 465     LYS A   751                                                      
REMARK 465     MET A   752                                                      
REMARK 465     GLN A   753                                                      
REMARK 465     GLN A   754                                                      
REMARK 465     ASN A   755                                                      
REMARK 465     GLY A   756                                                      
REMARK 465     TYR A   757                                                      
REMARK 465     GLU A   758                                                      
REMARK 465     ASN A   759                                                      
REMARK 465     PRO A   760                                                      
REMARK 465     THR A   761                                                      
REMARK 465     TYR A   762                                                      
REMARK 465     LYS A   763                                                      
REMARK 465     PHE A   764                                                      
REMARK 465     PHE A   765                                                      
REMARK 465     GLU A   766                                                      
REMARK 465     GLN A   767                                                      
REMARK 465     MET A   768                                                      
REMARK 465     GLN A   769                                                      
REMARK 465     ASN A   770                                                      
REMARK 465     GLN A   771                                                      
REMARK 465     GLY A   772                                                      
REMARK 465     ARG A   773                                                      
REMARK 465     ILE A   774                                                      
REMARK 465     LEU A   775                                                      
REMARK 465     GLN A   776                                                      
REMARK 465     ILE A   777                                                      
REMARK 465     SER A   778                                                      
REMARK 465     ILE A   779                                                      
REMARK 465     THR A   780                                                      
REMARK 465     LEU A   781                                                      
REMARK 465     ALA A   782                                                      
REMARK 465     ALA A   783                                                      
REMARK 465     ALA A   784                                                      
REMARK 465     LEU A   785                                                      
REMARK 465     GLU A   786                                                      
REMARK 465     HIS A   787                                                      
REMARK 465     HIS A   788                                                      
REMARK 465     HIS A   789                                                      
REMARK 465     HIS A   790                                                      
REMARK 465     HIS A   791                                                      
REMARK 465     HIS A   792                                                      
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 GLN A 686       77.89   -151.03                                   
REMARK 500  1 SER A 697      -85.96   -137.45                                   
REMARK 500  1 ASN A 698     -111.34   -151.54                                   
REMARK 500  1 LYS A 724       85.97     26.29                                   
REMARK 500  1 GLN A 727     -141.67     54.48                                   
REMARK 500  2 HIS A 684     -156.41    -98.79                                   
REMARK 500  2 SER A 697      -50.06   -173.63                                   
REMARK 500  2 LYS A 724      155.50     71.95                                   
REMARK 500  2 LYS A 725      -72.01   -148.19                                   
REMARK 500  2 LYS A 726       97.14   -166.70                                   
REMARK 500  2 GLN A 727     -102.46   -167.34                                   
REMARK 500  3 HIS A 685      -62.82   -102.14                                   
REMARK 500  3 SER A 697     -165.38   -128.68                                   
REMARK 500  3 ASN A 698      146.58     70.18                                   
REMARK 500  3 LYS A 725       90.83     55.99                                   
REMARK 500  3 LYS A 726      -54.01   -143.60                                   
REMARK 500  4 HIS A 685      -88.94    -71.35                                   
REMARK 500  4 GLN A 686     -113.14     51.15                                   
REMARK 500  4 LYS A 726      -72.93    -60.69                                   
REMARK 500  4 GLN A 727       83.53   -165.41                                   
REMARK 500  5 HIS A 684       25.97   -155.44                                   
REMARK 500  5 LYS A 687     -152.20   -133.27                                   
REMARK 500  5 LEU A 688       -4.79     71.07                                   
REMARK 500  5 SER A 697     -155.28   -128.20                                   
REMARK 500  5 ASN A 698      116.10     58.31                                   
REMARK 500  5 LYS A 724       37.16     35.17                                   
REMARK 500  5 LYS A 725      -93.74     44.13                                   
REMARK 500  5 LYS A 726      104.11     68.28                                   
REMARK 500  5 GLN A 727      -44.23   -148.78                                   
REMARK 500  6 HIS A 684      -87.52   -102.04                                   
REMARK 500  6 HIS A 685     -161.23     52.62                                   
REMARK 500  6 GLN A 686      -67.02     74.45                                   
REMARK 500  6 PHE A 691       39.02    -83.86                                   
REMARK 500  6 SER A 697      104.60     63.28                                   
REMARK 500  6 ASN A 698      103.61   -172.16                                   
REMARK 500  6 LYS A 725      102.24     69.90                                   
REMARK 500  6 LYS A 726      -60.25   -100.07                                   
REMARK 500  6 GLN A 727      -39.96   -135.32                                   
REMARK 500  7 LEU A 688      -12.49     72.91                                   
REMARK 500  7 SER A 697      -90.66   -168.05                                   
REMARK 500  7 ASN A 698     -164.97   -109.75                                   
REMARK 500  7 GLN A 727      102.61    -55.55                                   
REMARK 500  8 HIS A 684       -9.47   -153.13                                   
REMARK 500  8 GLN A 686      -82.76    -61.27                                   
REMARK 500  8 LEU A 688      -43.48   -131.10                                   
REMARK 500  8 ASN A 698     -175.33     64.82                                   
REMARK 500  8 LYS A 724      -53.62     69.98                                   
REMARK 500  8 GLN A 727     -125.85    -86.84                                   
REMARK 500  9 HIS A 685      -40.23   -151.85                                   
REMARK 500  9 LEU A 688      -45.40     80.15                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     150 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 15775   RELATED DB: BMRB                                 
DBREF  2LP1 A  671   770  UNP    P05067   A4_HUMAN       671    770             
SEQADV 2LP1 GLN A  771  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 GLY A  772  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 ARG A  773  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 ILE A  774  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 LEU A  775  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 GLN A  776  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 ILE A  777  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 SER A  778  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 ILE A  779  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 THR A  780  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 LEU A  781  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 ALA A  782  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 ALA A  783  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 ALA A  784  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 LEU A  785  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 GLU A  786  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 HIS A  787  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 HIS A  788  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 HIS A  789  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 HIS A  790  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 HIS A  791  UNP  P05067              EXPRESSION TAG                 
SEQADV 2LP1 HIS A  792  UNP  P05067              EXPRESSION TAG                 
SEQRES   1 A  122  MET ASP ALA GLU PHE ARG HIS ASP SER GLY TYR GLU VAL          
SEQRES   2 A  122  HIS HIS GLN LYS LEU VAL PHE PHE ALA GLU ASP VAL GLY          
SEQRES   3 A  122  SER ASN LYS GLY ALA ILE ILE GLY LEU MET VAL GLY GLY          
SEQRES   4 A  122  VAL VAL ILE ALA THR VAL ILE VAL ILE THR LEU VAL MET          
SEQRES   5 A  122  LEU LYS LYS LYS GLN TYR THR SER ILE HIS HIS GLY VAL          
SEQRES   6 A  122  VAL GLU VAL ASP ALA ALA VAL THR PRO GLU GLU ARG HIS          
SEQRES   7 A  122  LEU SER LYS MET GLN GLN ASN GLY TYR GLU ASN PRO THR          
SEQRES   8 A  122  TYR LYS PHE PHE GLU GLN MET GLN ASN GLN GLY ARG ILE          
SEQRES   9 A  122  LEU GLN ILE SER ILE THR LEU ALA ALA ALA LEU GLU HIS          
SEQRES  10 A  122  HIS HIS HIS HIS HIS                                          
HELIX    1   1 LYS A  687  GLY A  696  5                                  10    
HELIX    2   2 GLY A  700  GLY A  708  1                                   9    
HELIX    3   3 GLY A  708  LYS A  724  1                                  17    
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                                                                             
DBGET integrated database retrieval system