GenomeNet

Database: PDB
Entry: 5TP5
LinkDB: 5TP5
Original site: 5TP5 
HEADER    SIGNALING PROTEIN                       19-OCT-16   5TP5              
TITLE     SOLUTION STRUCTURE OF THE CALCIUM DEFICIENT MUTANT CALMODULIN CAM1234 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CALMODULIN;                                                
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: CAM;                                                        
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: CALM1, CALM, CAM, CAM1, CALM2, CAM2, CAMB, CALM3, CALML2,      
SOURCE   6 CAM3, CAMC, CAMIII;                                                  
SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   8 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    CALCIUM DEFICIENT, CALMODULIN, SIGNALING PROTEIN                      
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    M.PIAZZA,T.DIECKMANN,J.G.GUILLEMETTE                                  
REVDAT   3   14-JUN-23 5TP5    1       REMARK                                   
REVDAT   2   08-JAN-20 5TP5    1       REMARK                                   
REVDAT   1   27-SEP-17 5TP5    0                                                
JRNL        AUTH   M.PIAZZA,V.TAIAKINA,T.DIECKMANN,J.G.GUILLEMETTE              
JRNL        TITL   STRUCTURAL CONSEQUENCES OF CALMODULIN EF HAND MUTATIONS.     
JRNL        REF    BIOCHEMISTRY                  V.  56   944 2017              
JRNL        REFN                   ISSN 1520-4995                               
JRNL        PMID   28121131                                                     
JRNL        DOI    10.1021/ACS.BIOCHEM.6B01296                                  
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 5TP5 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-OCT-16.                  
REMARK 100 THE DEPOSITION ID IS D_1000224581.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 6.0                                
REMARK 210  IONIC STRENGTH                 : 150                                
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 100 MM POTASSIUM CHLORIDE, 1 MM    
REMARK 210                                   [U-99% 13C; U-99% 15N] CAM1234,    
REMARK 210                                   0.2 MM SODIUM AZIDE, 0.2 MM EDTA,  
REMARK 210                                   90% H2O/10% D2O                    
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 3D HNCA; 3D        
REMARK 210                                   CBCA(CO)NH; 3D HCCH-TOCSY; 3D 1H-  
REMARK 210                                   15N NOESY; 3D 1H-13C NOESY         
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : DRX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CNS, CARA                          
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 20                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   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 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    ILE A    52     H    ALA A    56              1.51            
REMARK 500   O    GLY A    33     H    ARG A    37              1.52            
REMARK 500   H    ILE A    27     O    ILE A    63              1.55            
REMARK 500   HA   ARG A    37     O    GLN A    41              1.57            
REMARK 500   O    ARG A   106     HG1  THR A   110              1.60            
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 ASP A  58      -11.94    167.97                                   
REMARK 500  1 PHE A  89      -17.83    -43.27                                   
REMARK 500  1 ALA A  93       68.26   -100.20                                   
REMARK 500  1 LYS A  94       30.59   -178.41                                   
REMARK 500  1 ASP A  95       21.04    -79.85                                   
REMARK 500  1 ALA A 129      -56.20     80.15                                   
REMARK 500  1 ILE A 130      -42.50     70.22                                   
REMARK 500  2 ASP A   2      126.95     63.07                                   
REMARK 500  2 PHE A  89      -18.03    -43.45                                   
REMARK 500  2 ILE A 100      102.49     81.54                                   
REMARK 500  2 ALA A 129      -52.74     79.30                                   
REMARK 500  2 ILE A 130      -40.55     69.25                                   
REMARK 500  3 GLN A   3      152.64     62.63                                   
REMARK 500  3 ALA A  20     -163.02    -62.58                                   
REMARK 500  3 ASP A  58      -11.09    168.19                                   
REMARK 500  3 LYS A  94       49.53     80.45                                   
REMARK 500  3 ASN A  97      -30.00     65.11                                   
REMARK 500  3 ALA A 129      -60.05     77.87                                   
REMARK 500  3 ILE A 130      -34.07     68.22                                   
REMARK 500  4 ASP A  58      -11.66    167.51                                   
REMARK 500  4 PHE A  89      -18.06    -48.26                                   
REMARK 500  4 ALA A  93       75.53   -101.29                                   
REMARK 500  4 ILE A 100      136.41    178.20                                   
REMARK 500  4 ALA A 129      -59.78     76.31                                   
REMARK 500  4 ILE A 130      -31.48     70.32                                   
REMARK 500  4 GLN A 135     -163.39   -117.70                                   
REMARK 500  5 ALA A  20       84.67    -66.62                                   
REMARK 500  5 ASP A  58       -7.82    130.11                                   
REMARK 500  5 ASN A  60      -44.09     71.84                                   
REMARK 500  5 PHE A  89      -17.78    -43.10                                   
REMARK 500  5 LYS A  94       42.48   -176.59                                   
REMARK 500  5 ASN A  97      -24.20     65.59                                   
REMARK 500  5 ALA A 129      -48.99     80.45                                   
REMARK 500  5 ILE A 130     -163.17     50.11                                   
REMARK 500  5 ASP A 131      164.66     65.15                                   
REMARK 500  6 ALA A  20       91.54    -68.02                                   
REMARK 500  6 ASP A  58      -13.25    163.31                                   
REMARK 500  6 ASP A  80       40.23    -82.72                                   
REMARK 500  6 LYS A  94        9.84   -175.45                                   
REMARK 500  6 ILE A 100       80.44     97.30                                   
REMARK 500  6 LYS A 115      142.73     54.01                                   
REMARK 500  6 ALA A 129      -49.99     81.65                                   
REMARK 500  6 ILE A 130      -42.08     73.17                                   
REMARK 500  6 GLN A 135     -169.38   -120.00                                   
REMARK 500  7 ASP A  58      -13.33    162.98                                   
REMARK 500  7 PHE A  89      -18.23    -49.07                                   
REMARK 500  7 ASN A  97      -28.75     64.54                                   
REMARK 500  7 LYS A 115       -4.26     54.36                                   
REMARK 500  7 ALA A 129      -58.89     79.84                                   
REMARK 500  7 ILE A 130      -37.64     69.62                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     133 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 30195   RELATED DB: BMRB                                 
REMARK 900 SOLUTION STRUCTURE OF THE CALCIUM DEFICIENT MUTANT CALMODULIN        
REMARK 900 CAM1234                                                              
REMARK 900 RELATED ID: 5TP6   RELATED DB: PDB                                   
DBREF  5TP5 A    1   148  UNP    P62158   CALM_HUMAN       2    149             
SEQADV 5TP5 ALA A   20  UNP  P62158    ASP    21 ENGINEERED MUTATION            
SEQADV 5TP5 ALA A   56  UNP  P62158    ASP    57 ENGINEERED MUTATION            
SEQADV 5TP5 ALA A   93  UNP  P62158    ASP    94 ENGINEERED MUTATION            
SEQADV 5TP5 ALA A  129  UNP  P62158    ASP   130 ENGINEERED MUTATION            
SEQRES   1 A  148  ALA ASP GLN LEU THR GLU GLU GLN ILE ALA GLU PHE LYS          
SEQRES   2 A  148  GLU ALA PHE SER LEU PHE ALA LYS ASP GLY ASP GLY THR          
SEQRES   3 A  148  ILE THR THR LYS GLU LEU GLY THR VAL MET ARG SER LEU          
SEQRES   4 A  148  GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP MET ILE          
SEQRES   5 A  148  ASN GLU VAL ALA ALA ASP GLY ASN GLY THR ILE ASP PHE          
SEQRES   6 A  148  PRO GLU PHE LEU THR MET MET ALA ARG LYS MET LYS ASP          
SEQRES   7 A  148  THR ASP SER GLU GLU GLU ILE ARG GLU ALA PHE ARG VAL          
SEQRES   8 A  148  PHE ALA LYS ASP GLY ASN GLY TYR ILE SER ALA ALA GLU          
SEQRES   9 A  148  LEU ARG HIS VAL MET THR ASN LEU GLY GLU LYS LEU THR          
SEQRES  10 A  148  ASP GLU GLU VAL ASP GLU MET ILE ARG GLU ALA ALA ILE          
SEQRES  11 A  148  ASP GLY ASP GLY GLN VAL ASN TYR GLU GLU PHE VAL GLN          
SEQRES  12 A  148  MET MET THR ALA LYS                                          
HELIX    1 AA1 GLN A    8  SER A   17  1                                  10    
HELIX    2 AA2 LEU A   32  ARG A   37  1                                   6    
HELIX    3 AA3 ALA A   46  MET A   51  1                                   6    
HELIX    4 AA4 ILE A   52  VAL A   55  5                                   4    
HELIX    5 AA5 PHE A   65  MET A   71  1                                   7    
HELIX    6 AA6 MET A   71  MET A   76  1                                   6    
HELIX    7 AA7 SER A   81  ALA A   93  1                                  13    
HELIX    8 AA8 SER A  101  GLY A  113  1                                  13    
HELIX    9 AA9 THR A  117  ALA A  129  1                                  13    
HELIX   10 AB1 ASN A  137  VAL A  142  1                                   6    
HELIX   11 AB2 VAL A  142  LYS A  148  1                                   7    
SHEET    1 AA1 2 THR A  26  ILE A  27  0                                        
SHEET    2 AA1 2 ILE A  63  ASP A  64 -1  O  ILE A  63   N  ILE A  27           
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