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Database: PDB
Entry: 4TGF
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Original site: 4TGF 
HEADER    GROWTH FACTOR                           13-JUN-90   4TGF              
TITLE     SOLUTION STRUCTURES OF HUMAN TRANSFORMING GROWTH FACTOR ALPHA DERIVED 
TITLE    2 FROM 1*H NMR DATA                                                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DES-VAL-1,VAL-2,TRANSFORMING GROWTH FACTOR, ALPHA;         
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606                                                 
KEYWDS    GROWTH FACTOR                                                         
EXPDTA    SOLUTION NMR                                                          
NUMMDL    4                                                                     
AUTHOR    T.P.KLINE,F.K.BROWN,S.C.BROWN,P.W.JEFFS,K.D.KOPPLE,L.MUELLER          
REVDAT   3   29-NOV-17 4TGF    1       REMARK HELIX                             
REVDAT   2   24-FEB-09 4TGF    1       VERSN                                    
REVDAT   1   15-OCT-91 4TGF    0                                                
JRNL        AUTH   T.P.KLINE,F.K.BROWN,S.C.BROWN,P.W.JEFFS,K.D.KOPPLE,L.MUELLER 
JRNL        TITL   SOLUTION STRUCTURES OF HUMAN TRANSFORMING GROWTH FACTOR      
JRNL        TITL 2 ALPHA DERIVED FROM 1H NMR DATA.                              
JRNL        REF    BIOCHEMISTRY                  V.  29  7805 1990              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   2261437                                                      
JRNL        DOI    10.1021/BI00486A005                                          
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   S.C.BROWN,L.MUELLER,P.W.JEFFS                                
REMARK   1  TITL   1H NMR ASSIGNMENT AND SECONDARY STRUCTURAL ELEMENTS OF HUMAN 
REMARK   1  TITL 2 TRANSFORMING GROWTH FACTOR ALPHA                             
REMARK   1  REF    BIOCHEMISTRY                  V.  28   593 1989              
REMARK   1  REFN                   ISSN 0006-2960                               
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : DSPACE, X-PLOR                                       
REMARK   3   AUTHORS     : HARE RESEARCH, INC. (DSPACE), BRUNGER (X-PLOR)       
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4TGF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
REMARK 100 THE DEPOSITION ID IS D_1000179426.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : NULL                               
REMARK 210  PH                             : NULL                               
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : NULL                               
REMARK 210  SAMPLE CONTENTS                : NULL                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : NULL                               
REMARK 210  SPECTROMETER FIELD STRENGTH    : NULL                               
REMARK 210  SPECTROMETER MODEL             : NULL                               
REMARK 210  SPECTROMETER MANUFACTURER      : NULL                               
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : NULL                               
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : NULL                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 4                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : NULL                               
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
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                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500  1 HIS A   4   CG    HIS A   4   ND1    -0.115                       
REMARK 500  1 HIS A  12   CG    HIS A  12   ND1    -0.117                       
REMARK 500  1 HIS A  18   CG    HIS A  18   ND1    -0.115                       
REMARK 500  1 HIS A  35   CG    HIS A  35   ND1    -0.114                       
REMARK 500  1 HIS A  45   CG    HIS A  45   ND1    -0.114                       
REMARK 500  2 HIS A   4   CG    HIS A   4   ND1    -0.116                       
REMARK 500  2 HIS A  12   CG    HIS A  12   ND1    -0.113                       
REMARK 500  2 HIS A  18   CG    HIS A  18   ND1    -0.117                       
REMARK 500  2 HIS A  35   CG    HIS A  35   ND1    -0.115                       
REMARK 500  2 HIS A  45   CG    HIS A  45   ND1    -0.116                       
REMARK 500  3 HIS A   4   CG    HIS A   4   ND1    -0.116                       
REMARK 500  3 HIS A  12   CG    HIS A  12   ND1    -0.117                       
REMARK 500  3 HIS A  18   CG    HIS A  18   ND1    -0.116                       
REMARK 500  3 HIS A  35   CG    HIS A  35   ND1    -0.116                       
REMARK 500  3 HIS A  45   CG    HIS A  45   ND1    -0.116                       
REMARK 500  4 HIS A   4   CG    HIS A   4   ND1    -0.116                       
REMARK 500  4 HIS A  12   CG    HIS A  12   ND1    -0.115                       
REMARK 500  4 HIS A  18   CG    HIS A  18   ND1    -0.115                       
REMARK 500  4 HIS A  35   CG    HIS A  35   ND1    -0.116                       
REMARK 500  4 HIS A  45   CG    HIS A  45   ND1    -0.114                       
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 SER A   3     -104.45   -173.83                                   
REMARK 500  1 HIS A   4        4.69   -155.98                                   
REMARK 500  1 ASP A   7     -102.96     40.29                                   
REMARK 500  1 PRO A   9     -174.41    -59.43                                   
REMARK 500  1 HIS A  12       37.66    -83.88                                   
REMARK 500  1 PHE A  17      -78.32    -47.29                                   
REMARK 500  1 THR A  20     -177.44    -50.88                                   
REMARK 500  1 LEU A  24       97.05    -64.24                                   
REMARK 500  1 GLU A  27       25.13   -143.61                                   
REMARK 500  1 ASP A  28       92.19     35.68                                   
REMARK 500  1 CYS A  43       29.18     46.92                                   
REMARK 500  1 ASP A  47       95.17    -67.96                                   
REMARK 500  1 LEU A  48      -59.58    -17.21                                   
REMARK 500  1 LEU A  49      -77.31   -106.47                                   
REMARK 500  2 HIS A   4      -46.45   -136.18                                   
REMARK 500  2 ASN A   6     -135.87    -73.73                                   
REMARK 500  2 PRO A   9     -179.72    -62.24                                   
REMARK 500  2 ASP A  10     -128.68    -70.20                                   
REMARK 500  2 SER A  11     -107.94     53.81                                   
REMARK 500  2 THR A  13      -90.94     43.74                                   
REMARK 500  2 PHE A  17      -22.86   -140.04                                   
REMARK 500  2 HIS A  18       57.59   -140.12                                   
REMARK 500  2 ASP A  28       76.18     48.37                                   
REMARK 500  2 ALA A  31     -161.50   -104.07                                   
REMARK 500  2 ASP A  47        5.16    -68.59                                   
REMARK 500  2 LEU A  49       76.01     40.38                                   
REMARK 500  3 VAL A   2        7.48     53.22                                   
REMARK 500  3 SER A   3      -78.77   -144.28                                   
REMARK 500  3 HIS A   4      162.98     67.04                                   
REMARK 500  3 ASN A   6     -142.71    -76.73                                   
REMARK 500  3 CYS A   8      106.31    -39.20                                   
REMARK 500  3 PRO A   9       37.73    -70.95                                   
REMARK 500  3 ASP A  10       92.42     49.43                                   
REMARK 500  3 SER A  11      -97.96   -142.50                                   
REMARK 500  3 GLN A  14       84.27   -171.83                                   
REMARK 500  3 PHE A  17      -32.86   -147.40                                   
REMARK 500  3 HIS A  18       57.40   -148.00                                   
REMARK 500  3 VAL A  25     -123.07    -92.64                                   
REMARK 500  3 GLN A  26      -80.69     56.58                                   
REMARK 500  3 ASP A  28      106.97     55.22                                   
REMARK 500  3 CYS A  43       61.60     63.90                                   
REMARK 500  3 HIS A  45     -166.72   -120.70                                   
REMARK 500  3 ASP A  47       77.38    -68.00                                   
REMARK 500  3 LEU A  49       97.78     59.44                                   
REMARK 500  4 VAL A   2      112.37     56.53                                   
REMARK 500  4 SER A   3       92.53     63.88                                   
REMARK 500  4 HIS A   4      -85.63   -164.06                                   
REMARK 500  4 ASN A   6     -165.66   -100.38                                   
REMARK 500  4 ASP A   7      149.23     62.26                                   
REMARK 500  4 PRO A   9      178.07    -54.63                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      57 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500  1 ARG A  22         0.19    SIDE CHAIN                              
REMARK 500  1 ARG A  42         0.28    SIDE CHAIN                              
REMARK 500  2 ARG A  22         0.30    SIDE CHAIN                              
REMARK 500  2 ARG A  42         0.26    SIDE CHAIN                              
REMARK 500  3 ARG A  22         0.32    SIDE CHAIN                              
REMARK 500  3 ARG A  42         0.22    SIDE CHAIN                              
REMARK 500  4 ARG A  22         0.32    SIDE CHAIN                              
REMARK 500  4 ARG A  42         0.15    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  4TGF A    1    50  UNP    P01135   TGFA_HUMAN      40     89             
SEQRES   1 A   50  VAL VAL SER HIS PHE ASN ASP CYS PRO ASP SER HIS THR          
SEQRES   2 A   50  GLN PHE CYS PHE HIS GLY THR CYS ARG PHE LEU VAL GLN          
SEQRES   3 A   50  GLU ASP LYS PRO ALA CYS VAL CYS HIS SER GLY TYR VAL          
SEQRES   4 A   50  GLY ALA ARG CYS GLU HIS ALA ASP LEU LEU ALA                  
SHEET    1 SAB 3 PHE A   5  ASN A   6  0                                        
SHEET    2 SAB 3 GLY A  19  LEU A  24 -1  O  PHE A  23   N  ASN A   6           
SHEET    3 SAB 3 LYS A  29  CYS A  34 -1  O  LYS A  29   N  LEU A  24           
SHEET    1  SC 2 TYR A  38  VAL A  39  0                                        
SHEET    2  SC 2 HIS A  45  ALA A  46 -1  N  HIS A  45   O  VAL A  39           
SSBOND   1 CYS A    8    CYS A   21                          1555   1555  2.03  
SSBOND   2 CYS A   16    CYS A   32                          1555   1555  2.02  
SSBOND   3 CYS A   34    CYS A   43                          1555   1555  2.02  
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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