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Database: PDB
Entry: 2L3H
LinkDB: 2L3H
Original site: 2L3H 
HEADER    HYDROLASE                               13-SEP-10   2L3H              
TITLE     NMR STRUCTURE IN A MEMBRANE ENVIRONMENT REVEALS PUTATIVE AMYLOIDOGENIC
TITLE    2 REGIONS OF THE SEVI PRECURSOR PEPTIDE PAP248-286                     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROSTATIC ACID PHOSPHATASE;                                
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 248-286;                                      
COMPND   5 EC: 3.1.3.2;                                                         
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
SOURCE   5 ORGANISM_TAXID: 9606;                                                
SOURCE   6 OTHER_DETAILS: ACPP                                                  
KEYWDS    SEVI, PAP248-286, HYDROLASE                                           
EXPDTA    SOLUTION NMR                                                          
NUMMDL    8                                                                     
AUTHOR    A.RAMAMOORTHY,R.NANGA,J.BRENDER,S.VIVEKANANDAN,N.POPOVYCH             
REVDAT   1   06-OCT-10 2L3H    0                                                
JRNL        AUTH   R.P.NANGA,J.R.BRENDER,S.VIVEKANANDAN,N.POPOVYCH,             
JRNL        AUTH 2 A.RAMAMOORTHY                                                
JRNL        TITL   NMR STRUCTURE IN A MEMBRANE ENVIRONMENT REVEALS PUTATIVE     
JRNL        TITL 2 AMYLOIDOGENIC REGIONS OF THE SEVI PRECURSOR PEPTIDE          
JRNL        TITL 3 PAP(248-286).                                                
JRNL        REF    J.AM.CHEM.SOC.                V. 131 17972 2009              
JRNL        REFN                   ISSN 0002-7863                               
JRNL        PMID   19995078                                                     
JRNL        DOI    10.1021/JA908170S                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR_NIH                                           
REMARK   3   AUTHORS     : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE             
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2L3H COMPLIES WITH FORMAT V. 3.20, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-SEP-10.                  
REMARK 100 THE RCSB ID CODE IS RCSB101909.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 310                                
REMARK 210  PH                             : 7.3                                
REMARK 210  IONIC STRENGTH                 : 20                                 
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 2.5 MM PAP248-286-1, 120 MM        
REMARK 210                                   SODIUM CHLORIDE-2, 20 MM SODIUM    
REMARK 210                                   PHOSPHATE-3, 200 MM [U-99% 2H]     
REMARK 210                                   SDS-4, 10 % [U-99% 2H] D2O-5, 90%  
REMARK 210                                   H2O/10% D2O                        
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H TOCSY; 2D 1H-1H NOESY     
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : X-PLOR_NIH, TOPSPIN 2.16, SPARKY   
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 8                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LEAST          
REMARK 210                                   RESTRAINT VIOLATIONS               
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 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   O    VAL A   262     H    ASN A   265              1.58            
REMARK 500   O    LEU A   268     N    HIS A   270              2.17            
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 ARG A 257      -13.64     80.99                                   
REMARK 500  1 VAL A 262      -38.32    -33.43                                   
REMARK 500  1 ASN A 269      -39.11    -17.88                                   
REMARK 500  1 HIS A 270      -83.54    -58.22                                   
REMARK 500  1 ARG A 273     -164.08     41.56                                   
REMARK 500  1 GLN A 276       21.51    -67.61                                   
REMARK 500  1 ILE A 277      103.67    -36.73                                   
REMARK 500  1 SER A 279      104.72   -176.35                                   
REMARK 500  1 TYR A 280      -73.58    -66.91                                   
REMARK 500  1 LYS A 282      -38.06    -24.03                                   
REMARK 500  1 ILE A 284      -49.84    -16.34                                   
REMARK 500  2 LYS A 251      -83.15    -71.01                                   
REMARK 500  2 LYS A 255     -114.68    -57.03                                   
REMARK 500  2 VAL A 262      -35.03    -31.34                                   
REMARK 500  2 ASN A 269      -41.27    -16.65                                   
REMARK 500  2 ARG A 273     -115.74    -51.65                                   
REMARK 500  2 SER A 279      104.06   -176.00                                   
REMARK 500  2 TYR A 280      -74.30    -65.81                                   
REMARK 500  2 LYS A 282      -37.28    -36.04                                   
REMARK 500  2 ILE A 284      -41.81    -23.34                                   
REMARK 500  3 LYS A 251      -77.37    -64.89                                   
REMARK 500  3 SER A 256       70.95     18.15                                   
REMARK 500  3 ARG A 257      -36.92    -29.71                                   
REMARK 500  3 VAL A 262      -28.12    -37.36                                   
REMARK 500  3 ASN A 269      -40.67    -17.10                                   
REMARK 500  3 ARG A 273      -83.73    -55.03                                   
REMARK 500  3 ILE A 277       98.08    -26.56                                   
REMARK 500  3 SER A 279      104.36   -176.19                                   
REMARK 500  3 TYR A 280      -73.66    -68.32                                   
REMARK 500  3 LYS A 282      -40.49    -23.06                                   
REMARK 500  3 ILE A 284      -46.83    -16.69                                   
REMARK 500  4 LYS A 251      -72.66    -32.81                                   
REMARK 500  4 SER A 256      -93.27     45.13                                   
REMARK 500  4 ARG A 257      -89.06     46.09                                   
REMARK 500  4 VAL A 264      -33.81    -39.44                                   
REMARK 500  4 ASN A 269      -41.34    -16.52                                   
REMARK 500  4 ILE A 277       92.27     30.43                                   
REMARK 500  4 LYS A 282      -36.67    -29.94                                   
REMARK 500  4 ILE A 284      -47.05    -16.58                                   
REMARK 500  5 ILE A 249      -37.10    -27.56                                   
REMARK 500  5 HIS A 250      -32.57    -36.68                                   
REMARK 500  5 LYS A 251      -86.31    -57.99                                   
REMARK 500  5 SER A 256      -56.24   -150.14                                   
REMARK 500  5 ASN A 269      -36.34    -19.36                                   
REMARK 500  5 THR A 275        3.34    -61.05                                   
REMARK 500  5 ILE A 277      103.14    -30.11                                   
REMARK 500  5 SER A 279      104.59   -176.30                                   
REMARK 500  5 TYR A 280      -72.87    -64.63                                   
REMARK 500  5 LYS A 282      -36.18    -27.39                                   
REMARK 500  5 ILE A 284      -49.51    -15.13                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      78 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  2L3H A  248   286  UNP    P15309   PPAP_HUMAN     248    286             
SEQRES   1 A   39  GLY ILE HIS LYS GLN LYS GLU LYS SER ARG LEU GLN GLY          
SEQRES   2 A   39  GLY VAL LEU VAL ASN GLU ILE LEU ASN HIS MET LYS ARG          
SEQRES   3 A   39  ALA THR GLN ILE PRO SER TYR LYS LYS LEU ILE MET TYR          
HELIX    1   1 GLY A  261  ASN A  269  1                                   9    
HELIX    2   2 LYS A  281  MET A  285  5                                   5    
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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