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Database: PDB
Entry: 2LMV
LinkDB: 2LMV
Original site: 2LMV 
HEADER    METAL BINDING PROTEIN                   12-DEC-11   2LMV              
TITLE     ANDROCAM AT HIGH CALCIUM WITH THREE EXPLICIT CA2+                     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CALMODULIN-RELATED PROTEIN 97A;                            
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: PROTEIN ANDROCAM;                                           
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER;                        
SOURCE   3 ORGANISM_COMMON: FRUIT FLY;                                          
SOURCE   4 ORGANISM_TAXID: 7227;                                                
SOURCE   5 GENE: AND, ANDROCAM, CAMR97A, CG17769;                               
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET15B                                     
KEYWDS    HIGH CALCIUM, SPERMATOGENESIS, METAL BINDING PROTEIN                  
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    M.K.JOSHI,S.T.MORAN,K.M.BECKINGHAM,K.R.MACKENZIE                      
REVDAT   2   05-SEP-12 2LMV    1       JRNL                                     
REVDAT   1   22-AUG-12 2LMV    0                                                
JRNL        AUTH   M.K.JOSHI,S.MORAN,K.M.BECKINGHAM,K.R.MACKENZIE               
JRNL        TITL   STRUCTURE OF ANDROCAM SUPPORTS SPECIALIZED INTERACTIONS WITH 
JRNL        TITL 2 MYOSIN VI.                                                   
JRNL        REF    PROC.NATL.ACAD.SCI.USA        V. 109 13290 2012              
JRNL        REFN                   ISSN 0027-8424                               
JRNL        PMID   22851764                                                     
JRNL        DOI    10.1073/PNAS.1209730109                                      
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 2LMV COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-DEC-11.                  
REMARK 100 THE RCSB ID CODE IS RCSB102577.                                      
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                 : 10                                 
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1.8 MM [U-100% 13C; U-100% 15N]    
REMARK 210                                   ANDROCAM, 10 MM CALCIUM CHLORIDE,  
REMARK 210                                   10 % D2O, 10 MM POTASSIUM          
REMARK 210                                   CHLORIDE, 10 MM TRIS, 10 MM DTT,   
REMARK 210                                   0.1 MM TSP, 90% H2O/10% D2O        
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 3D HNCO; 3D        
REMARK 210                                   CBCA(CO)NH; 2D 1H-13C HSQC         
REMARK 210                                   ALIPHATIC; 3D HCCH-COSY; 3D HCCH-  
REMARK 210                                   TOCSY; 2D 1H-13C HSQC AROMATIC;    
REMARK 210                                   3D HCACO; 3D HNCACB                
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ; 600 MHZ                   
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRPIPE, SPARKY, ARIA              
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 50                                 
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: THE C TERMINAL LOBES IN ALL 20 MODELS ALSO SUPERIMPOSE       
REMARK 210  WITH VERY SIMILAR RMSD VALUES AS THE N TERMINAL LOBES.              
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     MET A     1                                                      
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 A   3       51.58   -159.29                                   
REMARK 500  1 PHE A  19       44.16   -105.91                                   
REMARK 500  1 ASN A  42       67.91   -173.01                                   
REMARK 500  1 ASN A  59       27.18   -140.46                                   
REMARK 500  1 ASN A  60      -85.18     62.01                                   
REMARK 500  1 ASP A  80       38.03    -93.00                                   
REMARK 500  1 ASP A  93       99.08    -55.32                                   
REMARK 500  1 ASP A 133       -9.64   -147.66                                   
REMARK 500  1 TYR A 138      -25.45    -39.12                                   
REMARK 500  2 LEU A   4       89.77    -67.75                                   
REMARK 500  2 GLN A  41      -80.68    -93.58                                   
REMARK 500  2 ASN A  42       74.89     56.81                                   
REMARK 500  2 ASN A  57       43.68    -89.65                                   
REMARK 500  2 ASN A  58      -15.66   -155.16                                   
REMARK 500  2 ASN A  59       21.39   -144.21                                   
REMARK 500  2 ASN A  60      -83.24     64.49                                   
REMARK 500  2 GLU A  78      -80.70     60.22                                   
REMARK 500  2 THR A  79       40.53   -147.25                                   
REMARK 500  2 ASP A 133      -35.40   -143.05                                   
REMARK 500  2 TYR A 138      -23.72    -39.21                                   
REMARK 500  3 THR A   5      177.32    -59.10                                   
REMARK 500  3 PHE A  19       37.34    -88.14                                   
REMARK 500  3 ASN A  42       71.87   -155.28                                   
REMARK 500  3 THR A  79       -1.36   -173.39                                   
REMARK 500  3 THR A  81       57.06     36.11                                   
REMARK 500  3 ASP A  93       93.82    -60.83                                   
REMARK 500  3 ASP A 133        6.66   -155.66                                   
REMARK 500  3 TYR A 138      -24.21    -38.49                                   
REMARK 500  4 ASN A  42       64.35   -170.27                                   
REMARK 500  4 ASN A  57       59.64   -111.53                                   
REMARK 500  4 ASN A  58      -55.17   -170.81                                   
REMARK 500  4 ASN A  60      -81.75     62.66                                   
REMARK 500  4 ASP A  80       29.41   -157.39                                   
REMARK 500  4 THR A  81      117.21    -38.26                                   
REMARK 500  4 ASP A 133       -6.68   -151.68                                   
REMARK 500  5 GLU A   3       69.79   -168.69                                   
REMARK 500  5 LEU A   4       81.17     47.05                                   
REMARK 500  5 ASN A  42       82.61   -172.13                                   
REMARK 500  5 ASN A  57       36.57    -98.50                                   
REMARK 500  5 ASN A  58      -27.39   -159.54                                   
REMARK 500  5 ASN A  60      -81.34     64.13                                   
REMARK 500  5 GLU A  78      -84.89     62.76                                   
REMARK 500  5 THR A  81       90.15    -47.23                                   
REMARK 500  5 LYS A 115       90.00     52.70                                   
REMARK 500  5 ASP A 133      -23.84   -155.70                                   
REMARK 500  6 LEU A   4       89.84    -67.12                                   
REMARK 500  6 GLN A  41      -68.12    -91.65                                   
REMARK 500  6 ASN A  42       78.32     54.42                                   
REMARK 500  6 ASN A  57       52.76    -93.81                                   
REMARK 500  6 ASN A  58      -63.24   -162.33                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     172 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 A 150  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP A 129   OD2                                                    
REMARK 620 2 MET A 135   O    98.1                                              
REMARK 620 3 ASP A 133   OD2 104.7  73.4                                        
REMARK 620 4 GLU A 140   OE2  89.7 120.1 159.1                                  
REMARK 620 5 ASP A 131   OD2 107.1 154.7 100.8  59.9                            
REMARK 620 6 ASP A 129   OD1  10.7 108.2 110.5  81.7  96.9                      
REMARK 620 7 ASP A 133   OD1  71.0  77.0  33.8 156.5 112.2  77.4                
REMARK 620 8 GLU A 140   OE1 119.7  73.5 127.2  52.1  92.4 118.3 149.7          
REMARK 620 9 ASP A 131   OD1  76.7 141.7  71.4  98.0  49.9  71.2  65.3 142.2    
REMARK 620 N                    1     2     3     4     5     6     7     8     
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                           1  CA A 151  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 LYS A  26   O                                                      
REMARK 620 2 THR A  24   OG1 113.7                                              
REMARK 620 3 GLN A  62   OE1  93.0  81.1                                        
REMARK 620 4 ASP A  20   OD1  68.6  92.7 156.5                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                           1  CA A 149  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP A  93   OD2                                                    
REMARK 620 2 PHE A  99   O    53.5                                              
REMARK 620 3 ASP A  97   OD2  72.2  62.5                                        
REMARK 620 4 GLU A 104   OE2 129.2  88.8 123.5                                  
REMARK 620 5 ASP A  95   OD2 146.5 159.0 121.7  71.8                            
REMARK 620 6 ASP A  93   OD1  31.8  74.1 103.3 114.6 120.8                      
REMARK 620 7 ASP A  97   OD1  76.1  88.2  28.7 142.6 102.2 100.4                
REMARK 620 8 GLU A 104   OE1 103.9 108.3 170.7  52.2  66.3  74.0 159.7          
REMARK 620 N                    1     2     3     4     5     6     7           
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 149                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 150                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 151                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 17354   RELATED DB: BMRB                                 
REMARK 900 RELATED ID: 2LMT   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 2LMU   RELATED DB: PDB                                   
DBREF  2LMV A    1   148  UNP    P49258   CALL_DROME       1    148             
SEQRES   1 A  148  MET SER GLU LEU THR GLU GLU GLN ILE ALA GLU PHE LYS          
SEQRES   2 A  148  ASP ALA PHE VAL GLN PHE ASP LYS GLU GLY THR GLY LYS          
SEQRES   3 A  148  ILE ALA THR ARG GLU LEU GLY THR LEU MET ARG THR LEU          
SEQRES   4 A  148  GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP LEU ILE          
SEQRES   5 A  148  ALA GLU ALA GLU ASN ASN ASN ASN GLY GLN LEU ASN PHE          
SEQRES   6 A  148  THR GLU PHE CYS GLY ILE MET ALA LYS GLN MET ARG GLU          
SEQRES   7 A  148  THR ASP THR GLU GLU GLU MET ARG GLU ALA PHE LYS ILE          
SEQRES   8 A  148  PHE ASP ARG ASP GLY ASP GLY PHE ILE SER PRO ALA GLU          
SEQRES   9 A  148  LEU ARG PHE VAL MET ILE ASN LEU GLY GLU LYS VAL THR          
SEQRES  10 A  148  ASP GLU GLU ILE ASP GLU MET ILE ARG GLU ALA ASP PHE          
SEQRES  11 A  148  ASP GLY ASP GLY MET ILE ASN TYR GLU GLU PHE VAL TRP          
SEQRES  12 A  148  MET ILE SER GLN LYS                                          
HET     CA  A 149       1                                                       
HET     CA  A 150       1                                                       
HET     CA  A 151       1                                                       
HETNAM      CA CALCIUM ION                                                      
FORMUL   2   CA    3(CA 2+)                                                     
HELIX    1   1 THR A    5  GLN A   18  1                                  14    
HELIX    2   2 GLU A   31  LEU A   39  1                                   9    
HELIX    3   3 THR A   44  ASN A   59  1                                  16    
HELIX    4   4 PHE A   65  ARG A   77  1                                  13    
HELIX    5   5 THR A   81  ASP A   93  1                                  13    
HELIX    6   6 SER A  101  GLY A  113  1                                  13    
HELIX    7   7 THR A  117  ASP A  129  1                                  13    
HELIX    8   8 ASN A  137  LYS A  148  1                                  12    
SHEET    1   A 2 LYS A  26  ALA A  28  0                                        
SHEET    2   A 2 GLN A  62  ASN A  64 -1  O  LEU A  63   N  ILE A  27           
LINK         OD2 ASP A 129                CA    CA A 150     1555   1555  4.40  
LINK         O   LYS A  26                CA    CA A 151     1555   1555  2.30  
LINK         OD2 ASP A  93                CA    CA A 149     1555   1555  3.80  
LINK         O   PHE A  99                CA    CA A 149     1555   1555  2.33  
LINK         O   MET A 135                CA    CA A 150     1555   1555  2.33  
LINK         OD2 ASP A 133                CA    CA A 150     1555   1555  3.73  
LINK         OD2 ASP A  97                CA    CA A 149     1555   1555  3.97  
LINK         OG1 THR A  24                CA    CA A 151     1555   1555  2.40  
LINK         OE1 GLN A  62                CA    CA A 151     1555   1555  2.44  
LINK         OD1 ASP A  20                CA    CA A 151     1555   1555  2.44  
LINK         OE2 GLU A 140                CA    CA A 150     1555   1555  2.54  
LINK         OE2 GLU A 104                CA    CA A 149     1555   1555  2.47  
LINK         OD2 ASP A 131                CA    CA A 150     1555   1555  2.71  
LINK         OD2 ASP A  95                CA    CA A 149     1555   1555  2.48  
LINK         OD1 ASP A 129                CA    CA A 150     1555   1555  2.29  
LINK         OD1 ASP A  93                CA    CA A 149     1555   1555  2.31  
LINK         OD1 ASP A 133                CA    CA A 150     1555   1555  2.37  
LINK         OD1 ASP A  97                CA    CA A 149     1555   1555  2.38  
LINK         OE1 GLU A 140                CA    CA A 150     1555   1555  2.45  
LINK         OD1 ASP A 131                CA    CA A 150     1555   1555  2.48  
LINK         OE1 GLU A 104                CA    CA A 149     1555   1555  2.52  
SITE     1 AC1  5 ASP A  93  ASP A  95  ASP A  97  PHE A  99                    
SITE     2 AC1  5 GLU A 104                                                     
SITE     1 AC2  5 ASP A 129  ASP A 131  ASP A 133  MET A 135                    
SITE     2 AC2  5 GLU A 140                                                     
SITE     1 AC3  5 ASP A  20  GLU A  22  THR A  24  LYS A  26                    
SITE     2 AC3  5 GLN A  62                                                     
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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