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Database: PDB
Entry: 2GLI
LinkDB: 2GLI
Original site: 2GLI 
HEADER    TRANSCRIPTION/DNA                       09-NOV-93   2GLI              
TITLE     FIVE-FINGER GLI/DNA COMPLEX                                           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DNA (5'-                                                   
COMPND   3 D(*TP*TP*TP*CP*GP*TP*CP*TP*TP*GP*GP*GP*TP*GP*GP*TP*CP*CP*AP          
COMPND   4 *CP*G)-3');                                                          
COMPND   5 CHAIN: C;                                                            
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: DNA (5'-                                                   
COMPND   9 D(*AP*CP*GP*TP*GP*GP*AP*CP*CP*AP*CP*CP*CP*AP*AP*GP*AP*CP*GP          
COMPND  10 *AP*A)-3');                                                          
COMPND  11 CHAIN: D;                                                            
COMPND  12 ENGINEERED: YES;                                                     
COMPND  13 MOL_ID: 3;                                                           
COMPND  14 MOLECULE: PROTEIN (FIVE-FINGER GLI);                                 
COMPND  15 CHAIN: A;                                                            
COMPND  16 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 MOL_ID: 2;                                                           
SOURCE   4 SYNTHETIC: YES;                                                      
SOURCE   5 MOL_ID: 3;                                                           
SOURCE   6 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   7 ORGANISM_COMMON: HUMAN;                                              
SOURCE   8 ORGANISM_TAXID: 9606;                                                
SOURCE   9 GENE: GLI ONCOGENE;                                                  
SOURCE  10 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  11 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  12 EXPRESSION_SYSTEM_GENE: GLI ONCOGENE                                 
KEYWDS    PROTEIN/DNA COMPLEX, TRANSCRIPTION/DNA COMPLEX                        
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    N.P.PAVLETICH,C.O.PABO                                                
REVDAT   2   24-FEB-09 2GLI    1       VERSN                                    
REVDAT   1   09-NOV-93 2GLI    0                                                
JRNL        AUTH   N.P.PAVLETICH,C.O.PABO                                       
JRNL        TITL   CRYSTAL STRUCTURE OF A FIVE-FINGER GLI-DNA                   
JRNL        TITL 2 COMPLEX: NEW PERSPECTIVES ON ZINC FINGERS.                   
JRNL        REF    SCIENCE                       V. 261  1701 1993              
JRNL        REFN                   ISSN 0036-8075                               
JRNL        PMID   8378770                                                      
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.60 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : TNT                                                  
REMARK   3   AUTHORS     : TRONRUD,TEN EYCK,MATTHEWS                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 7.00                           
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 2.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : NULL                           
REMARK   3   NUMBER OF REFLECTIONS             : 9187                           
REMARK   3                                                                      
REMARK   3  USING DATA ABOVE SIGMA CUTOFF.                                      
REMARK   3   CROSS-VALIDATION METHOD          : NULL                            
REMARK   3   FREE R VALUE TEST SET SELECTION  : NULL                            
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.228                           
REMARK   3   R VALUE            (WORKING SET) : NULL                            
REMARK   3   FREE R VALUE                     : NULL                            
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL                            
REMARK   3   FREE R VALUE TEST SET COUNT      : NULL                            
REMARK   3                                                                      
REMARK   3  USING ALL DATA, NO SIGMA CUTOFF.                                    
REMARK   3   R VALUE   (WORKING + TEST SET, NO CUTOFF) : NULL                   
REMARK   3   R VALUE          (WORKING SET, NO CUTOFF) : NULL                   
REMARK   3   FREE R VALUE                  (NO CUTOFF) : NULL                   
REMARK   3   FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL                   
REMARK   3   FREE R VALUE TEST SET COUNT   (NO CUTOFF) : NULL                   
REMARK   3   TOTAL NUMBER OF REFLECTIONS   (NO CUTOFF) : NULL                   
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1270                                    
REMARK   3   NUCLEIC ACID ATOMS       : 855                                     
REMARK   3   HETEROGEN ATOMS          : 5                                       
REMARK   3   SOLVENT ATOMS            : 44                                      
REMARK   3                                                                      
REMARK   3  WILSON B VALUE (FROM FCALC, A**2) : NULL                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.    RMS    WEIGHT  COUNT           
REMARK   3   BOND LENGTHS                 (A) : 0.015 ; NULL  ; NULL            
REMARK   3   BOND ANGLES            (DEGREES) : 3.070 ; NULL  ; NULL            
REMARK   3   TORSION ANGLES         (DEGREES) : NULL  ; NULL  ; NULL            
REMARK   3   PSEUDOROTATION ANGLES  (DEGREES) : NULL  ; NULL  ; NULL            
REMARK   3   TRIGONAL CARBON PLANES       (A) : NULL  ; NULL  ; NULL            
REMARK   3   GENERAL PLANES               (A) : NULL  ; NULL  ; NULL            
REMARK   3   ISOTROPIC THERMAL FACTORS (A**2) : NULL  ; NULL  ; NULL            
REMARK   3   NON-BONDED CONTACTS          (A) : NULL  ; NULL  ; NULL            
REMARK   3                                                                      
REMARK   3  INCORRECT CHIRAL-CENTERS (COUNT) : NULL                             
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : NULL                                                 
REMARK   3   KSOL        : NULL                                                 
REMARK   3   BSOL        : NULL                                                 
REMARK   3                                                                      
REMARK   3  RESTRAINT LIBRARIES.                                                
REMARK   3   STEREOCHEMISTRY : NULL                                             
REMARK   3   ISOTROPIC THERMAL FACTOR RESTRAINTS : NULL                         
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2GLI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : NULL                               
REMARK 200  TEMPERATURE           (KELVIN) : 98.00                              
REMARK 200  PH                             : 7.00                               
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : NULL                               
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : NULL                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU RAXIS IIC                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
REMARK 200  DATA SCALING SOFTWARE          : NULL                               
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 10856                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.600                              
REMARK 200  RESOLUTION RANGE LOW       (A) : NULL                               
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL                               
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL                         
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 54.20                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.69                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PH 7.00, VAPOR DIFFUSION, HANGING        
REMARK 280  DROP                                                                
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000       74.50000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       22.70000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       25.10000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       22.70000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       74.50000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       25.10000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
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: TRIMERIC                          
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D, 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 IN SAME ASYMMETRIC UNIT                     
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   O6   DG  C    21     N3   DC  D     2              2.01            
REMARK 500   N    CYS A   202     O    LYS A   209              2.08            
REMARK 500   N6   DA  C    19     O4   DT  D     4              2.10            
REMARK 500   OD1  ASP A   116     NE2  GLN A   120              2.14            
REMARK 500   N1   DA  C    19     N3   DT  D     4              2.17            
REMARK 500   N    GLU A   103     NH2  ARG A   107              2.17            
REMARK 500   O    HIS A   251     N    LYS A   253              2.19            
REMARK 500   O6   DG  C    14     N4   DC  D     9              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   N3   DT  C     1     N1   DA  D     1     1544     2.03            
REMARK 500   O4   DT  C     1     N6   DA  D     1     1544     2.19            
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     DG C  11   N9     DG C  11   C4      0.055                       
REMARK 500     DG C  12   C6     DG C  12   N1     -0.043                       
REMARK 500     DT C  13   O3'    DT C  13   C3'    -0.045                       
REMARK 500     DG C  14   O3'    DG C  14   C3'    -0.072                       
REMARK 500     DA D   1   C5'    DA D   1   C4'     0.043                       
REMARK 500     DT D   4   O3'    DT D   4   C3'    -0.039                       
REMARK 500     DA D   7   O3'    DA D   7   C3'    -0.046                       
REMARK 500     DC D  11   C1'    DC D  11   N1     -0.102                       
REMARK 500     DC D  12   N1     DC D  12   C6     -0.058                       
REMARK 500     DC D  13   O3'    DC D  13   C3'    -0.082                       
REMARK 500     DC D  13   C1'    DC D  13   N1     -0.088                       
REMARK 500    GLU A 103   CD    GLU A 103   OE2     0.068                       
REMARK 500    GLU A 119   CD    GLU A 119   OE2     0.083                       
REMARK 500    GLU A 133   CD    GLU A 133   OE2     0.069                       
REMARK 500    GLU A 136   CD    GLU A 136   OE2     0.068                       
REMARK 500    GLU A 147   CD    GLU A 147   OE2     0.075                       
REMARK 500    GLU A 203   CD    GLU A 203   OE2     0.077                       
REMARK 500    GLU A 205   CD    GLU A 205   OE2     0.079                       
REMARK 500    GLU A 228   CD    GLU A 228   OE2     0.074                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
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,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
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   ATM2   ATM3                                     
REMARK 500     DT C   1   O4' -  C4' -  C3' ANGL. DEV. =  -3.5 DEGREES          
REMARK 500     DT C   2   N3  -  C4  -  O4  ANGL. DEV. =   3.8 DEGREES          
REMARK 500     DT C   3   O4' -  C1' -  N1  ANGL. DEV. =   2.2 DEGREES          
REMARK 500     DC C   4   O5' -  C5' -  C4' ANGL. DEV. =  -8.0 DEGREES          
REMARK 500     DC C   4   O4' -  C4' -  C3' ANGL. DEV. =  -2.7 DEGREES          
REMARK 500     DC C   4   O4' -  C1' -  N1  ANGL. DEV. =   6.0 DEGREES          
REMARK 500     DT C   6   O4' -  C1' -  N1  ANGL. DEV. =   5.1 DEGREES          
REMARK 500     DC C   7   C4' -  C3' -  C2' ANGL. DEV. =  -4.4 DEGREES          
REMARK 500     DC C   7   O4' -  C1' -  N1  ANGL. DEV. =   3.1 DEGREES          
REMARK 500     DT C   6   C3' -  O3' -  P   ANGL. DEV. =  20.8 DEGREES          
REMARK 500     DT C   8   P   -  O5' -  C5' ANGL. DEV. = -19.7 DEGREES          
REMARK 500     DC C   7   C3' -  O3' -  P   ANGL. DEV. =  11.1 DEGREES          
REMARK 500     DT C   9   O4' -  C1' -  N1  ANGL. DEV. =   5.3 DEGREES          
REMARK 500     DG C  10   O4' -  C1' -  C2' ANGL. DEV. =  -5.5 DEGREES          
REMARK 500     DG C  10   O4' -  C1' -  N9  ANGL. DEV. =   7.6 DEGREES          
REMARK 500     DG C  11   O4' -  C4' -  C3' ANGL. DEV. =  -4.7 DEGREES          
REMARK 500     DG C  11   C4' -  C3' -  C2' ANGL. DEV. =  -6.3 DEGREES          
REMARK 500     DG C  11   O4' -  C1' -  N9  ANGL. DEV. =   6.2 DEGREES          
REMARK 500     DG C  11   C4  -  C5  -  N7  ANGL. DEV. =  -4.2 DEGREES          
REMARK 500     DG C  11   C5  -  N7  -  C8  ANGL. DEV. =   3.0 DEGREES          
REMARK 500     DG C  11   C8  -  N9  -  C4  ANGL. DEV. =  -3.2 DEGREES          
REMARK 500     DG C  11   N9  -  C4  -  C5  ANGL. DEV. =   4.4 DEGREES          
REMARK 500     DG C  11   C6  -  C5  -  N7  ANGL. DEV. =   3.8 DEGREES          
REMARK 500     DG C  11   C8  -  N9  -  C1' ANGL. DEV. =   9.7 DEGREES          
REMARK 500     DG C  12   P   -  O5' -  C5' ANGL. DEV. = -13.7 DEGREES          
REMARK 500     DG C  12   O4' -  C1' -  N9  ANGL. DEV. =   2.4 DEGREES          
REMARK 500     DG C  12   N1  -  C6  -  O6  ANGL. DEV. =  -7.1 DEGREES          
REMARK 500     DG C  12   C5  -  C6  -  O6  ANGL. DEV. =   5.0 DEGREES          
REMARK 500     DT C  13   P   -  O5' -  C5' ANGL. DEV. = -14.4 DEGREES          
REMARK 500     DT C  13   O4' -  C1' -  N1  ANGL. DEV. =   2.7 DEGREES          
REMARK 500     DG C  14   O4' -  C1' -  N9  ANGL. DEV. =  -5.9 DEGREES          
REMARK 500     DG C  15   O4' -  C1' -  N9  ANGL. DEV. =  -5.4 DEGREES          
REMARK 500     DG C  15   C5  -  C6  -  O6  ANGL. DEV. =  -3.8 DEGREES          
REMARK 500     DG C  14   C3' -  O3' -  P   ANGL. DEV. =   8.7 DEGREES          
REMARK 500     DC C  17   O4' -  C1' -  N1  ANGL. DEV. =   5.7 DEGREES          
REMARK 500     DC C  18   C6  -  N1  -  C2  ANGL. DEV. =   2.5 DEGREES          
REMARK 500     DA C  19   O4' -  C1' -  N9  ANGL. DEV. =   4.5 DEGREES          
REMARK 500     DA C  19   N1  -  C6  -  N6  ANGL. DEV. =   3.8 DEGREES          
REMARK 500     DC C  20   O4' -  C1' -  N1  ANGL. DEV. =   5.7 DEGREES          
REMARK 500     DC C  20   C6  -  N1  -  C2  ANGL. DEV. =  -2.6 DEGREES          
REMARK 500     DC C  20   N3  -  C4  -  C5  ANGL. DEV. =  -2.6 DEGREES          
REMARK 500     DA C  19   C3' -  O3' -  P   ANGL. DEV. =  11.0 DEGREES          
REMARK 500     DG C  21   C1' -  O4' -  C4' ANGL. DEV. =  -6.2 DEGREES          
REMARK 500     DG C  21   O4' -  C1' -  N9  ANGL. DEV. =   3.2 DEGREES          
REMARK 500     DG C  21   N3  -  C2  -  N2  ANGL. DEV. =  -5.2 DEGREES          
REMARK 500     DA D   1   C5' -  C4' -  O4' ANGL. DEV. =   8.1 DEGREES          
REMARK 500     DC D   2   O4' -  C1' -  N1  ANGL. DEV. =   4.0 DEGREES          
REMARK 500     DT D   4   C3' -  C2' -  C1' ANGL. DEV. =  -4.9 DEGREES          
REMARK 500     DT D   4   O4' -  C1' -  C2' ANGL. DEV. =  -5.2 DEGREES          
REMARK 500     DT D   4   O4' -  C1' -  N1  ANGL. DEV. =   1.8 DEGREES          
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     110 ANGLE DEVIATIONS.                             
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    THR A 104       61.49     67.52                                   
REMARK 500    ASP A 105      116.62    163.15                                   
REMARK 500    ASP A 109      108.21    -43.34                                   
REMARK 500    GLU A 133      142.36     25.70                                   
REMARK 500    GLU A 136      127.27     64.54                                   
REMARK 500    HIS A 140       59.10   -143.65                                   
REMARK 500    SER A 145       12.52    -42.10                                   
REMARK 500    GLU A 147      -91.22     39.18                                   
REMARK 500    ARG A 149       87.86    -64.16                                   
REMARK 500    PRO A 150      155.73    -45.61                                   
REMARK 500    VAL A 158      -38.27    -33.56                                   
REMARK 500    ARG A 162      -13.45    -44.92                                   
REMARK 500    ARG A 163      -85.81    -68.60                                   
REMARK 500    PHE A 174      110.03    -33.12                                   
REMARK 500    ASN A 186      -73.69    -53.15                                   
REMARK 500    LEU A 187      -37.22    -38.10                                   
REMARK 500    HIS A 190      -37.05    -35.49                                   
REMARK 500    GLU A 197      106.63    -47.40                                   
REMARK 500    LYS A 198       60.63   -108.63                                   
REMARK 500    PRO A 199       -5.94    -49.33                                   
REMARK 500    HIS A 204      142.43    155.55                                   
REMARK 500    GLU A 205      -43.48     61.76                                   
REMARK 500    LYS A 219      -97.22    -54.72                                   
REMARK 500    HIS A 220      -56.22    -11.54                                   
REMARK 500    SER A 226      -72.01    -50.65                                   
REMARK 500    ASN A 227      -66.36     76.11                                   
REMARK 500    LYS A 234       54.21   -110.85                                   
REMARK 500    CYS A 238      -72.07   -130.19                                   
REMARK 500    LEU A 248      -84.35    -58.13                                   
REMARK 500    ARG A 249      -49.91    -12.06                                   
REMARK 500    VAL A 252       54.43    -58.99                                   
REMARK 500    LYS A 253      -25.63    171.19                                   
REMARK 500    VAL A 255     -104.14    -76.84                                   
REMARK 500    HIS A 256     -152.90    -51.06                                   
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     DT C   9         0.07    SIDE_CHAIN                              
REMARK 500     DG C  10         0.10    SIDE_CHAIN                              
REMARK 500     DG C  14         0.07    SIDE_CHAIN                              
REMARK 500     DG C  15         0.07    SIDE_CHAIN                              
REMARK 500     DT C  16         0.07    SIDE_CHAIN                              
REMARK 500     DC C  17         0.06    SIDE_CHAIN                              
REMARK 500     DG D   3         0.07    SIDE_CHAIN                              
REMARK 500     DG D   6         0.08    SIDE_CHAIN                              
REMARK 500     DA D   7         0.08    SIDE_CHAIN                              
REMARK 500     DC D  13         0.06    SIDE_CHAIN                              
REMARK 500     DG D  16         0.07    SIDE_CHAIN                              
REMARK 500     DG D  19         0.05    SIDE_CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH C 227        DISTANCE =  5.37 ANGSTROMS                       
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                              CO A 262  CO                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS A 256   NE2                                                    
REMARK 620 2 CYS A 238   SG  113.0                                              
REMARK 620 3 HIS A 251   NE2  79.7 107.2                                        
REMARK 620 4 CYS A 233   SG  118.3 105.9 130.7                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CO A 260  CO                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS A 194   NE2                                                    
REMARK 620 2 CYS A 172   SG  115.9                                              
REMARK 620 3 CYS A 177   SG  111.7 102.7                                        
REMARK 620 4 HIS A 190   NE2 108.4  98.1 119.5                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CO A 258  CO                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A 111   SG                                                     
REMARK 620 2 HIS A 129   NE2 147.9                                              
REMARK 620 3 HIS A 124   NE2 112.4  91.3                                        
REMARK 620 4 CYS A 106   SG  100.6  98.1  95.7                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CO A 259  CO                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A 139   SG                                                     
REMARK 620 2 HIS A 160   NE2 104.7                                              
REMARK 620 3 CYS A 144   SG  115.8 106.7                                        
REMARK 620 4 HIS A 164   NE2  96.4 111.9 120.3                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CO A 261  CO                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A 202   SG                                                     
REMARK 620 2 CYS A 207   SG  123.5                                              
REMARK 620 3 HIS A 225   NE2 122.3 107.2                                        
REMARK 620 4 HIS A 220   NE2  96.6 106.8  92.9                                  
REMARK 620 N                    1     2     3                                   
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CO A 258                  
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CO A 259                  
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CO A 260                  
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CO A 261                  
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CO A 262                  
DBREF  2GLI A  103   257  UNP    P08151   GLI1_HUMAN     232    391             
DBREF  2GLI C    1    21  PDB    2GLI     2GLI             1     21             
DBREF  2GLI D    1    21  PDB    2GLI     2GLI             1     21             
SEQRES   1 C   21   DT  DT  DT  DC  DG  DT  DC  DT  DT  DG  DG  DG  DT          
SEQRES   2 C   21   DG  DG  DT  DC  DC  DA  DC  DG                              
SEQRES   1 D   21   DA  DC  DG  DT  DG  DG  DA  DC  DC  DA  DC  DC  DC          
SEQRES   2 D   21   DA  DA  DG  DA  DC  DG  DA  DA                              
SEQRES   1 A  155  GLU THR ASP CYS ARG TRP ASP GLY CYS SER GLN GLU PHE          
SEQRES   2 A  155  ASP SER GLN GLU GLN LEU VAL HIS HIS ILE ASN SER GLU          
SEQRES   3 A  155  HIS ILE HIS GLY GLU ARG LYS GLU PHE VAL CYS HIS TRP          
SEQRES   4 A  155  GLY GLY CYS SER ARG GLU LEU ARG PRO PHE LYS ALA GLN          
SEQRES   5 A  155  TYR MET LEU VAL VAL HIS MET ARG ARG HIS THR GLY GLU          
SEQRES   6 A  155  LYS PRO HIS LYS CYS THR PHE GLU GLY CYS ARG LYS SER          
SEQRES   7 A  155  TYR SER ARG LEU GLU ASN LEU LYS THR HIS LEU ARG SER          
SEQRES   8 A  155  HIS THR GLY GLU LYS PRO TYR MET CYS GLU HIS GLU GLY          
SEQRES   9 A  155  CYS SER LYS ALA PHE SER ASN ALA SER ASP ARG ALA LYS          
SEQRES  10 A  155  HIS GLN ASN ARG THR HIS SER ASN GLU LYS PRO TYR VAL          
SEQRES  11 A  155  CYS LYS LEU PRO GLY CYS THR LYS ARG TYR THR ASP PRO          
SEQRES  12 A  155  SER SER LEU ARG LYS HIS VAL LYS THR VAL HIS GLY              
HET     CO  A 258       1                                                       
HET     CO  A 259       1                                                       
HET     CO  A 260       1                                                       
HET     CO  A 261       1                                                       
HET     CO  A 262       1                                                       
HETNAM      CO COBALT (II) ION                                                  
FORMUL   4   CO    5(CO 2+)                                                     
FORMUL   9  HOH   *44(H2 O)                                                     
HELIX    1   1 SER A  117  HIS A  129  1                                  13    
HELIX    2   2 ALA A  153  MET A  161  1                                   9    
HELIX    3   3 MET A  161  GLY A  166  1                                   6    
HELIX    4   4 ARG A  183  HIS A  194  1                                  12    
HELIX    5   5 ARG A  217  THR A  224  1                                   8    
HELIX    6   6 ASP A  244  HIS A  251  1                                   8    
SHEET    1   A 2 TYR A 200  MET A 201  0                                        
SHEET    2   A 2 ALA A 210  PHE A 211 -1  N  PHE A 211   O  TYR A 200           
SHEET    1   B 2 TYR A 231  VAL A 232  0                                        
SHEET    2   B 2 ARG A 241  TYR A 242 -1  O  TYR A 242   N  TYR A 231           
LINK        CO    CO A 262                 NE2 HIS A 256     1555   1555  1.44  
LINK         NE2 HIS A 194                CO    CO A 260     1555   1555  1.69  
LINK        CO    CO A 258                 SG  CYS A 111     1555   1555  2.11  
LINK        CO    CO A 258                 NE2 HIS A 129     1555   1555  1.99  
LINK        CO    CO A 258                 NE2 HIS A 124     1555   1555  2.06  
LINK        CO    CO A 258                 SG  CYS A 106     1555   1555  2.28  
LINK        CO    CO A 259                 SG  CYS A 139     1555   1555  2.28  
LINK        CO    CO A 259                 NE2 HIS A 160     1555   1555  2.01  
LINK        CO    CO A 259                 SG  CYS A 144     1555   1555  2.60  
LINK        CO    CO A 259                 NE2 HIS A 164     1555   1555  1.92  
LINK        CO    CO A 260                 SG  CYS A 172     1555   1555  2.33  
LINK        CO    CO A 260                 SG  CYS A 177     1555   1555  2.00  
LINK        CO    CO A 260                 NE2 HIS A 190     1555   1555  2.04  
LINK        CO    CO A 261                 SG  CYS A 202     1555   1555  2.33  
LINK        CO    CO A 261                 SG  CYS A 207     1555   1555  2.22  
LINK        CO    CO A 261                 NE2 HIS A 225     1555   1555  2.29  
LINK        CO    CO A 261                 NE2 HIS A 220     1555   1555  2.05  
LINK        CO    CO A 262                 SG  CYS A 238     1555   1555  2.61  
LINK        CO    CO A 262                 NE2 HIS A 251     1555   1555  2.01  
LINK        CO    CO A 262                 SG  CYS A 233     1555   1555  2.21  
SITE     1 AC1  4 CYS A 106  CYS A 111  HIS A 124  HIS A 129                    
SITE     1 AC2  4 CYS A 139  CYS A 144  HIS A 160  HIS A 164                    
SITE     1 AC3  4 CYS A 172  CYS A 177  HIS A 190  HIS A 194                    
SITE     1 AC4  4 CYS A 202  CYS A 207  HIS A 220  HIS A 225                    
SITE     1 AC5  4 CYS A 233  CYS A 238  HIS A 251  HIS A 256                    
CRYST1  149.000   50.200   45.400  90.00  90.00  90.00 P 21 21 21    4          
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      0.006711  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.019920  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.022026        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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