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Database: PDB
Entry: 1E0A
LinkDB: 1E0A
Original site: 1E0A 
HEADER    SIGNALLING PROTEIN/KINASE               16-MAR-00   1E0A              
TITLE     CDC42 COMPLEXED WITH THE GTPASE BINDING DOMAIN OF P21 ACTIVATED KINASE
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CELL DIVISION CONTROL PROTEIN 42 HOMOLOG;                  
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: 1-184;                                                     
COMPND   5 SYNONYM: G25K GTP-BINDING PROTEIN;                                   
COMPND   6 EC: 3.6.5.2;                                                         
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MUTATION: YES;                                                       
COMPND   9 OTHER_DETAILS: COMPLEXED WITH 5'-GUANOSYL-IMIDO-TRIPHOSPHATE;        
COMPND  10 MOL_ID: 2;                                                           
COMPND  11 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PAK 1;                     
COMPND  12 CHAIN: B;                                                            
COMPND  13 FRAGMENT: 75-118;                                                    
COMPND  14 SYNONYM: ALPHA-PAK,PROTEIN KINASE MUK2,P21-ACTIVATED KINASE 1,PAK-1, 
COMPND  15 P68-PAK;                                                             
COMPND  16 EC: 2.7.11.1;                                                        
COMPND  17 ENGINEERED: YES;                                                     
COMPND  18 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 CELLULAR_LOCATION: CYTOPLASM;                                        
SOURCE   6 GENE: CDC42;                                                         
SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   8 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE  10 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;                      
SOURCE  11 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  12 EXPRESSION_SYSTEM_PLASMID: PET16B;                                   
SOURCE  13 EXPRESSION_SYSTEM_GENE: CDC42;                                       
SOURCE  14 MOL_ID: 2;                                                           
SOURCE  15 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                              
SOURCE  16 ORGANISM_COMMON: RAT;                                                
SOURCE  17 ORGANISM_TAXID: 10116;                                               
SOURCE  18 CELLULAR_LOCATION: CYTOPLASMIC;                                      
SOURCE  19 GENE: PAK1;                                                          
SOURCE  20 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  21 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE  22 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
SOURCE  23 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;                      
SOURCE  24 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  25 EXPRESSION_SYSTEM_PLASMID: PGEX2T;                                   
SOURCE  26 EXPRESSION_SYSTEM_GENE: PAK                                          
KEYWDS    SIGNALLING PROTEIN, G PROTEIN SIGNALLING SER/THR KINASE, SIGNALLING   
KEYWDS   2 PROTEIN-KINASE COMPLEX                                               
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    A.MORREALE,M.VENKATESAN,H.R.MOTT,D.OWEN,D.NIETLISPACH,P.N.LOWE,       
AUTHOR   2 E.D.LAUE                                                             
REVDAT   6   25-SEP-19 1E0A    1       COMPND SOURCE REMARK DBREF               
REVDAT   6 2                   1       SEQADV                                   
REVDAT   5   05-FEB-14 1E0A    1       SOURCE                                   
REVDAT   4   15-MAY-13 1E0A    1       HEADER COMPND SOURCE KEYWDS              
REVDAT   4 2                   1       AUTHOR JRNL   REMARK VERSN               
REVDAT   4 3                   1       DBREF  SEQADV FORMUL HELIX               
REVDAT   4 4                   1       SHEET  ATOM   TER    HETATM              
REVDAT   4 5                   1       MASTER                                   
REVDAT   3   24-FEB-09 1E0A    1       VERSN                                    
REVDAT   2   14-SEP-00 1E0A    1       COMPND                                   
REVDAT   1   18-APR-00 1E0A    0                                                
JRNL        AUTH   A.MORREALE,M.VENKATESAN,H.R.MOTT,D.OWEN,D.NIETLISPACH,       
JRNL        AUTH 2 P.N.LOWE,E.D.LAUE                                            
JRNL        TITL   SOLUTION STRUCTURE OF CDC42 BOUND TO THE GTPASE BINDING      
JRNL        TITL 2 DOMIAN OF PAK                                                
JRNL        REF    NAT.STRUCT.BIOL.              V.   7   384 2000              
JRNL        REFN                   ISSN 1072-8368                               
JRNL        PMID   10802735                                                     
JRNL        DOI    10.1038/75158                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.0                                              
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN THE    
REMARK   3  JRNL CITATION ABOVE                                                 
REMARK   4                                                                      
REMARK   4 1E0A COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 16-MAR-00.                  
REMARK 100 THE DEPOSITION ID IS D_1290004744.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 5.5                                
REMARK 210  IONIC STRENGTH                 : 5 MM NA2HPO4, 25MM NACL            
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 90% WATER, 10% D2O                 
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : NOESY; TOCSY; TRIPLE RESONANCE     
REMARK 210                                   EXPERIMENTS; HNHA                  
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ                            
REMARK 210  SPECTROMETER MODEL             : DRX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : AZARA, ANSIG, CNS                  
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY OF A             
REMARK 210                                   SUBSTRUCTURE FOLLOWED BY           
REMARK 210                                   CARTESIAN DYNAMICS                 
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : NO VIOLATIONS                      
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 7                   
REMARK 210                                                                      
REMARK 210 REMARK: SAMPLES WERE 13C,15N LABELLED CDC42 + UNLABELLED PAK OR      
REMARK 210  13C,15N LABELLED PAK + UNLABELLED CDC42                             
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: DIMERIC                           
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
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 400                                                                      
REMARK 400 COMPOUND                                                             
REMARK 400 CHAIN A: ENGINEERED MUTATION GLN61LEU                                
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    TYR A    72     H    THR A    75              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 GLN A   2      140.90     69.44                                   
REMARK 500  1 ALA A  13       84.28     53.41                                   
REMARK 500  1 LYS A  16      -74.19    -62.92                                   
REMARK 500  1 LEU A  19      -73.50    -61.26                                   
REMARK 500  1 THR A  24      -86.23   -123.94                                   
REMARK 500  1 ASN A  26      -56.28     79.03                                   
REMARK 500  1 PRO A  29      165.09    -45.82                                   
REMARK 500  1 SER A  30      -76.44   -119.56                                   
REMARK 500  1 PRO A  34       92.71    -43.81                                   
REMARK 500  1 THR A  35       87.64    -51.98                                   
REMARK 500  1 PHE A  37      -68.76   -146.62                                   
REMARK 500  1 ASP A  38      131.48     60.47                                   
REMARK 500  1 PRO A  50      155.95    -46.38                                   
REMARK 500  1 ALA A  59      -66.71   -127.17                                   
REMARK 500  1 LEU A  61      -53.97    170.48                                   
REMARK 500  1 TYR A  72      102.70     46.29                                   
REMARK 500  1 ASP A  76     -165.40    167.97                                   
REMARK 500  1 VAL A  84      -69.92   -109.09                                   
REMARK 500  1 VAL A  85      -73.73    -52.03                                   
REMARK 500  1 SER A  86      106.16    -50.88                                   
REMARK 500  1 LYS A  94      -70.52    -69.61                                   
REMARK 500  1 CYS A 105       74.49   -152.88                                   
REMARK 500  1 GLN A 116       71.40    177.32                                   
REMARK 500  1 ASP A 121      -47.65    174.65                                   
REMARK 500  1 LYS A 135      168.39     69.77                                   
REMARK 500  1 PRO A 136       92.03    -51.27                                   
REMARK 500  1 LYS A 150      108.94     70.59                                   
REMARK 500  1 LYS A 153      139.77     73.87                                   
REMARK 500  1 ALA A 159     -174.05    -52.16                                   
REMARK 500  1 LEU A 160      -64.91     67.72                                   
REMARK 500  1 GLU A 178       81.83     50.51                                   
REMARK 500  1 PRO A 179      102.58    -46.84                                   
REMARK 500  1 PRO A 182       74.00    -65.29                                   
REMARK 500  1 SER B  74      -83.24   -100.06                                   
REMARK 500  1 PHE B  81      124.06    171.41                                   
REMARK 500  1 HIS B  83       95.65    -68.91                                   
REMARK 500  1 THR B  93       50.42   -155.48                                   
REMARK 500  1 LEU B 107      -69.68    -96.20                                   
REMARK 500  1 GLN B 108     -105.10    -80.40                                   
REMARK 500  1 THR B 109      -24.14    159.34                                   
REMARK 500  1 THR B 113      -63.52     68.99                                   
REMARK 500  1 SER B 115      -82.44     60.80                                   
REMARK 500  2 ASP A  11     -152.31    -60.00                                   
REMARK 500  2 LYS A  16      -73.71    -95.91                                   
REMARK 500  2 LEU A  19      -72.86    -55.71                                   
REMARK 500  2 THR A  24      -88.07   -120.63                                   
REMARK 500  2 ASN A  26       51.91     76.64                                   
REMARK 500  2 PHE A  28      168.39    -45.85                                   
REMARK 500  2 SER A  30      -76.25   -107.44                                   
REMARK 500  2 PRO A  34       91.74    -41.58                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     934 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                              MG A 186  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GNP A 185   O2G                                                    
REMARK 620 2 HOH A 187   O    91.8                                              
REMARK 620 3 THR A  35   OG1  89.9  90.2                                        
REMARK 620 4 HOH A 188   O    81.9 169.8  81.9                                  
REMARK 620 5 THR A  17   OG1 171.7  93.6  96.3  93.5                            
REMARK 620 6 GNP A 185   O2B  84.4  93.5 173.3  93.8  89.0                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 700                                                                      
REMARK 700 SHEET                                                                
REMARK 700 DETERMINATION METHOD:                                                
REMARK 700 THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED.  IN              
REMARK 700 ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW,          
REMARK 700 TWO SHEETS ARE DEFINED.  STRANDS 1, 2, 3 AND 4 OF SHEET              
REMARK 700 A1 AND A2 ARE IDENTICAL.                                             
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 186                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GNP A 185                 
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 Q61L MUTANT. 7 C-TERMINAL RESIDUES REMOVED                           
REMARK 999 RESIDUES 73 AND 74 ARE FROM THE EXPRESSION SYSTEM                    
DBREF  1E0A A    1   184  UNP    P60953   CDC42_HUMAN      1    184             
DBREF  1E0A B   75   118  UNP    P35465   PAK1_RAT        75    118             
SEQADV 1E0A LEU A   61  UNP  P60953    GLN    61 ENGINEERED MUTATION            
SEQADV 1E0A GLY B   73  UNP  P35465              EXPRESSION TAG                 
SEQADV 1E0A SER B   74  UNP  P35465              EXPRESSION TAG                 
SEQRES   1 A  184  MET GLN THR ILE LYS CYS VAL VAL VAL GLY ASP GLY ALA          
SEQRES   2 A  184  VAL GLY LYS THR CYS LEU LEU ILE SER TYR THR THR ASN          
SEQRES   3 A  184  LYS PHE PRO SER GLU TYR VAL PRO THR VAL PHE ASP ASN          
SEQRES   4 A  184  TYR ALA VAL THR VAL MET ILE GLY GLY GLU PRO TYR THR          
SEQRES   5 A  184  LEU GLY LEU PHE ASP THR ALA GLY LEU GLU ASP TYR ASP          
SEQRES   6 A  184  ARG LEU ARG PRO LEU SER TYR PRO GLN THR ASP VAL PHE          
SEQRES   7 A  184  LEU VAL CYS PHE SER VAL VAL SER PRO SER SER PHE GLU          
SEQRES   8 A  184  ASN VAL LYS GLU LYS TRP VAL PRO GLU ILE THR HIS HIS          
SEQRES   9 A  184  CYS PRO LYS THR PRO PHE LEU LEU VAL GLY THR GLN ILE          
SEQRES  10 A  184  ASP LEU ARG ASP ASP PRO SER THR ILE GLU LYS LEU ALA          
SEQRES  11 A  184  LYS ASN LYS GLN LYS PRO ILE THR PRO GLU THR ALA GLU          
SEQRES  12 A  184  LYS LEU ALA ARG ASP LEU LYS ALA VAL LYS TYR VAL GLU          
SEQRES  13 A  184  CYS SER ALA LEU THR GLN LYS GLY LEU LYS ASN VAL PHE          
SEQRES  14 A  184  ASP GLU ALA ILE LEU ALA ALA LEU GLU PRO PRO GLU PRO          
SEQRES  15 A  184  LYS LYS                                                      
SEQRES   1 B   46  GLY SER ILE SER LEU PRO SER ASP PHE GLU HIS THR ILE          
SEQRES   2 B   46  HIS VAL GLY PHE ASP ALA VAL THR GLY GLU PHE THR GLY          
SEQRES   3 B   46  MET PRO GLU GLN TRP ALA ARG LEU LEU GLN THR SER ASN          
SEQRES   4 B   46  ILE THR LYS SER GLU GLN LYS                                  
HET    GNP  A 185      45                                                       
HET     MG  A 186       1                                                       
HETNAM     GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER                      
HETNAM      MG MAGNESIUM ION                                                    
FORMUL   3  GNP    C10 H17 N6 O13 P3                                            
FORMUL   4   MG    MG 2+                                                        
FORMUL   5  HOH   *2(H2 O)                                                      
HELIX    1   1 LYS A   16  TYR A   23  1                                   8    
HELIX    2   2 TYR A   72  ASP A   76  5                                   5    
HELIX    3   3 SER A   86  VAL A   98  1                                  13    
HELIX    4   4 GLU A  100  CYS A  105  1                                   6    
HELIX    5   5 ASP A  122  ALA A  130  1                                   9    
HELIX    6   6 GLU A  140  LYS A  150  1                                  11    
HELIX    7   7 GLY A  164  GLU A  178  1                                  15    
HELIX    8   8 ALA B   91  GLY B   94  5                                   4    
HELIX    9   9 PRO B  100  LEU B  107  1                                   8    
SHEET    1  AA 4 PHE A  56  THR A  58  0                                        
SHEET    2  AA 4 VAL A   7  VAL A   9  1  O  VAL A   8   N  THR A  58           
SHEET    3  AA 4 PHE A  78  LEU A  79  1  O  LEU A  79   N  VAL A   9           
SHEET    4  AA 4 PHE A 110  LEU A 111  1  N  LEU A 111   O  PHE A  78           
SHEET    1  BA 2 GLY B  88  ASP B  90  0                                        
SHEET    2  BA 2 GLU B  95  THR B  97 -1  O  GLU B  95   N  ASP B  90           
LINK        MG    MG A 186                 O2G GNP A 185     1555   1555  2.39  
LINK        MG    MG A 186                 O   HOH A 187     1555   1555  2.37  
LINK        MG    MG A 186                 OG1 THR A  35     1555   1555  2.40  
LINK        MG    MG A 186                 O   HOH A 188     1555   1555  2.37  
LINK        MG    MG A 186                 OG1 THR A  17     1555   1555  2.38  
LINK        MG    MG A 186                 O2B GNP A 185     1555   1555  2.37  
SITE     1 AC1  5 THR A  17  THR A  35  GNP A 185  HOH A 187                    
SITE     2 AC1  5 HOH A 188                                                     
SITE     1 AC2 21 ALA A  13  THR A  17  CYS A  18  LEU A  19                    
SITE     2 AC2 21 ILE A  21  SER A  22  TYR A  23  PHE A  28                    
SITE     3 AC2 21 PRO A  29  THR A  35  CYS A  81  VAL A 113                    
SITE     4 AC2 21 THR A 115  GLU A 156  CYS A 157  SER A 158                    
SITE     5 AC2 21 ALA A 159  GLN A 162  LEU A 165   MG A 186                    
SITE     6 AC2 21 HOH A 188                                                     
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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