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Database: PDB
Entry: 2LS4
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Original site: 2LS4 
HEADER    METAL TRANSPORT                         20-APR-12   2LS4              
TITLE     1H CHEMICAL SHIFT ASSIGNMENTS FOR THE THIRD TRANSMEMBRANE DOMAIN FROM 
TITLE    2 THE HUMAN COPPER TRANSPORT 1                                         
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: HIGH AFFINITY COPPER UPTAKE PROTEIN 1;                     
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 156-179;                                      
COMPND   5 SYNONYM: COPPER TRANSPORTER 1, HCTR1, SOLUTE CARRIER FAMILY 31 MEMBER
COMPND   6 1;                                                                   
COMPND   7 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: SLC31A1, COPT1, CTR1;                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    HCTR1 TMDS, OLIGOMERIZATION, METAL TRANSPORT                          
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    L.YANG,Z.HUANG,F.LI                                                   
REVDAT   1   06-JUN-12 2LS4    0                                                
JRNL        AUTH   L.YANG,Z.HUANG,F.LI                                          
JRNL        TITL   STRUCTURAL INSIGHTS INTO THE TRANSMEMBRANE DOMAINS OF HUMAN  
JRNL        TITL 2 COPPER TRANSPORTER 1                                         
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CYANA                                                
REMARK   3   AUTHORS     : GLNTERT P.                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2LS4 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 09-MAY-12.                  
REMARK 100 THE RCSB ID CODE IS RCSB102764.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : NULL                               
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 2 MM HCTR1-TMD3-1, 40%             
REMARK 210                                   HEXAFLUOROISOPROPANOL (HFIP)       
REMARK 210                                   AQUEOUS SOLUTION                   
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H NOESY; 2D 1H-1H TOCSY     
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 200                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : TARGET FUNCTION                    
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    ALA A    10     H    GLY A    14              1.55            
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 ASN A   2       85.44     51.02                                   
REMARK 500  1 LEU A   5      111.23     64.86                                   
REMARK 500  1 PHE A  18      -52.51   -152.46                                   
REMARK 500  1 LEU A  19     -164.95     72.81                                   
REMARK 500  1 PHE A  20      -30.73    -37.88                                   
REMARK 500  2 TYR A   4      138.04     60.60                                   
REMARK 500  2 LEU A   5      -60.25     71.57                                   
REMARK 500  2 PHE A  18      -31.53    -38.19                                   
REMARK 500  2 SER A  21      -51.25   -143.93                                   
REMARK 500  3 TYR A   4      155.91     58.82                                   
REMARK 500  3 LEU A   5      -63.82     70.98                                   
REMARK 500  3 LEU A  19     -100.10     40.58                                   
REMARK 500  3 TRP A  22       38.85    -93.93                                   
REMARK 500  4 ASN A   2      155.51     60.52                                   
REMARK 500  4 TYR A   4       96.77    -64.40                                   
REMARK 500  4 LEU A   5      -53.25   -135.79                                   
REMARK 500  4 TYR A  17      -51.32   -178.79                                   
REMARK 500  4 SER A  21      -45.79   -155.81                                   
REMARK 500  5 ASN A   2      154.17     60.91                                   
REMARK 500  5 LEU A   5      -64.73   -124.44                                   
REMARK 500  5 TYR A  17      -51.20   -120.28                                   
REMARK 500  5 LYS A  23      -73.48    -62.06                                   
REMARK 500  6 ASN A   2       88.64    -65.59                                   
REMARK 500  6 TYR A   4      121.46     59.70                                   
REMARK 500  6 LEU A   5      -60.61     71.26                                   
REMARK 500  6 TYR A  17      -47.21   -173.46                                   
REMARK 500  7 ASN A   2       83.74     41.02                                   
REMARK 500  7 TYR A   4       45.27    179.77                                   
REMARK 500  7 LEU A   5      -67.30     69.10                                   
REMARK 500  7 TYR A  17      -50.17   -121.33                                   
REMARK 500  7 SER A  21      -50.65   -139.74                                   
REMARK 500  7 LYS A  23       94.76     54.76                                   
REMARK 500  8 TYR A   4      172.88     53.88                                   
REMARK 500  8 LEU A   5      -60.59     71.13                                   
REMARK 500  8 THR A  15      -49.38   -131.91                                   
REMARK 500  8 SER A  21      -53.61   -141.64                                   
REMARK 500  8 LYS A  23      -91.47     59.49                                   
REMARK 500  9 TYR A   4       87.52     48.71                                   
REMARK 500  9 LEU A   5      -64.22   -139.51                                   
REMARK 500  9 TYR A  17      -52.67   -161.92                                   
REMARK 500 10 ASN A   2      154.20     61.39                                   
REMARK 500 10 TYR A   4       98.08     52.47                                   
REMARK 500 10 THR A  15      -54.64   -125.14                                   
REMARK 500 10 SER A  21      -46.40   -138.96                                   
REMARK 500 11 ASN A   2       73.03     40.53                                   
REMARK 500 11 LEU A   5      -61.25     70.34                                   
REMARK 500 12 ASN A   2       85.22   -160.59                                   
REMARK 500 12 PHE A  18      -51.34   -121.28                                   
REMARK 500 12 LEU A  19      -97.89     41.50                                   
REMARK 500 12 SER A  21      -49.89   -144.82                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      85 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 18410   RELATED DB: BMRB                                 
DBREF  2LS4 A    1    24  UNP    O15431   COPT1_HUMAN    156    179             
SEQRES   1 A   24  TYR ASN GLY TYR LEU CYS ILE ALA VAL ALA ALA GLY ALA          
SEQRES   2 A   24  GLY THR GLY TYR PHE LEU PHE SER TRP LYS LYS                  
HELIX    1   1 ILE A    7  GLY A   14  1                                   8    
HELIX    2   2 PHE A   18  LYS A   23  5                                   6    
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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