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Database: PDB
Entry: 4Y1V
LinkDB: 4Y1V
Original site: 4Y1V 
HEADER    SUGAR BINDING PROTEIN                   09-FEB-15   4Y1V              
TITLE     COMPLEX OF HUMAN GALECTIN-1 AND GALBETA1-3GLCNAC                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: GALECTIN-1;                                                
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 SYNONYM: GAL-1,14 KDA LAMININ-BINDING PROTEIN,HLBP14,14 KDA LECTIN,  
COMPND   5 BETA-GALACTOSIDE-BINDING LECTIN L-14-I,GALAPTIN,HBL,HPL,LACTOSE-     
COMPND   6 BINDING LECTIN 1,LECTIN GALACTOSIDE-BINDING SOLUBLE 1,PUTATIVE MAPK- 
COMPND   7 ACTIVATING PROTEIN PM12,S-LAC LECTIN 1;                              
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 OTHER_DETAILS: THE N-TERMINUS RESIDUES ARE MISSING DUE TO DISORDER.  
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: LGALS1;                                                        
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)                                  
KEYWDS    COMPLEX, GALECTIN-1, LECTIN, TYPE 1 LACNAC, SUGAR BINDING PROTEIN     
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    H.Y.LIN,T.J.HSIEH,C.H.LIN                                             
REVDAT   1   06-APR-16 4Y1V    0                                                
JRNL        AUTH   H.Y.LIN,T.J.HSIEH,Z.TU,B.S.HUANG,S.C.WU,C.T.CHIEN,S.T.HSU,   
JRNL        AUTH 2 C.H.LIN                                                      
JRNL        TITL   STRUCTURAL BASIS OF HUMAN GALECTIN-1 INHIBITION WITH KI      
JRNL        TITL 2 VALUES IN THE MICRO- TO NANOMOLAR RANGE                      
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.32 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX                                               
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.32                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 25.83                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.150                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 96.1                           
REMARK   3   NUMBER OF REFLECTIONS             : 12430                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.222                           
REMARK   3   R VALUE            (WORKING SET) : 0.217                           
REMARK   3   FREE R VALUE                     : 0.268                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.030                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 1247                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 25.8349 -  4.8134    0.99     1368   154  0.2203 0.2520        
REMARK   3     2  4.8134 -  3.8245    0.99     1312   145  0.1645 0.2208        
REMARK   3     3  3.8245 -  3.3422    1.00     1283   142  0.1931 0.2679        
REMARK   3     4  3.3422 -  3.0372    0.99     1279   140  0.2255 0.2604        
REMARK   3     5  3.0372 -  2.8198    0.97     1251   141  0.2545 0.3214        
REMARK   3     6  2.8198 -  2.6537    0.97     1229   138  0.2443 0.2769        
REMARK   3     7  2.6537 -  2.5209    0.95     1208   134  0.2587 0.2894        
REMARK   3     8  2.5209 -  2.4112    0.93     1170   131  0.2695 0.3313        
REMARK   3     9  2.4112 -  2.3185    0.86     1083   122  0.2776 0.3487        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.260            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 24.970           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 28.79                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 38.40                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.006           2148                                  
REMARK   3   ANGLE     :  0.971           2910                                  
REMARK   3   CHIRALITY :  0.039            304                                  
REMARK   3   PLANARITY :  0.004            384                                  
REMARK   3   DIHEDRAL  : 26.121            866                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: ALL                                                    
REMARK   3    ORIGIN FOR THE GROUP (A):  11.3375 -22.3516 -12.6699              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1290 T22:   0.2895                                     
REMARK   3      T33:   0.1323 T12:   0.0127                                     
REMARK   3      T13:   0.0051 T23:  -0.0127                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1879 L22:   6.1550                                     
REMARK   3      L33:   1.0393 L12:  -0.2681                                     
REMARK   3      L13:  -0.2989 L23:  -1.0302                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0610 S12:  -0.0155 S13:   0.0089                       
REMARK   3      S21:   0.0336 S22:  -0.0248 S23:   0.2076                       
REMARK   3      S31:  -0.0703 S32:  -0.0592 S33:  -0.0150                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4Y1V COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 19-FEB-15.                  
REMARK 100 THE DEPOSITION ID IS D_1000206435.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 03-NOV-13                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 8.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : NSRRC                              
REMARK 200  BEAMLINE                       : BL13C1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97622                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 12886                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.320                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 30.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.2                               
REMARK 200  DATA REDUNDANCY                : 4.500                              
REMARK 200  R MERGE                    (I) : 0.04100                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 18.2000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.32                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.40                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 95.2                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.80                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.20800                            
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: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER 2.5.3                                          
REMARK 200 STARTING MODEL: 1W6N                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 49.45                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.43                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M TRIS (PH 8.0), 0.2 M LI2SO4, 30%   
REMARK 280  (W/V) PEG 3350, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K     
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       21.85750            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       55.79550            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       29.14550            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       55.79550            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       21.85750            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       29.14550            
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: 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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A   -19                                                      
REMARK 465     GLY A   -18                                                      
REMARK 465     SER A   -17                                                      
REMARK 465     SER A   -16                                                      
REMARK 465     HIS A   -15                                                      
REMARK 465     HIS A   -14                                                      
REMARK 465     HIS A   -13                                                      
REMARK 465     HIS A   -12                                                      
REMARK 465     HIS A   -11                                                      
REMARK 465     HIS A   -10                                                      
REMARK 465     SER A    -9                                                      
REMARK 465     SER A    -8                                                      
REMARK 465     GLY A    -7                                                      
REMARK 465     LEU A    -6                                                      
REMARK 465     VAL A    -5                                                      
REMARK 465     PRO A    -4                                                      
REMARK 465     ARG A    -3                                                      
REMARK 465     GLY A    -2                                                      
REMARK 465     SER A    -1                                                      
REMARK 465     HIS A     0                                                      
REMARK 465     MET A     1                                                      
REMARK 465     MET B   -19                                                      
REMARK 465     GLY B   -18                                                      
REMARK 465     SER B   -17                                                      
REMARK 465     SER B   -16                                                      
REMARK 465     HIS B   -15                                                      
REMARK 465     HIS B   -14                                                      
REMARK 465     HIS B   -13                                                      
REMARK 465     HIS B   -12                                                      
REMARK 465     HIS B   -11                                                      
REMARK 465     HIS B   -10                                                      
REMARK 465     SER B    -9                                                      
REMARK 465     SER B    -8                                                      
REMARK 465     GLY B    -7                                                      
REMARK 465     LEU B    -6                                                      
REMARK 465     VAL B    -5                                                      
REMARK 465     PRO B    -4                                                      
REMARK 465     ARG B    -3                                                      
REMARK 465     GLY B    -2                                                      
REMARK 465     SER B    -1                                                      
REMARK 465     HIS B     0                                                      
REMARK 465     MET B     1                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ASN A  50       65.37   -152.16                                   
REMARK 500    ASN A  56       58.78     37.92                                   
REMARK 500    ASN B  50       64.85   -155.40                                   
REMARK 500    ASN B  56       58.71     37.15                                   
REMARK 500    ASP B 125       59.38    -90.23                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for Poly-Saccharide residues MAG A    
REMARK 800  201 through GAL A 202                                               
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for Poly-Saccharide residues MAG B    
REMARK 800  201 through GAL B 202                                               
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4Y1U   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4Y1X   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4Y1Y   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4Y1Z   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4Y20   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4Y22   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4Y24   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4Y26   RELATED DB: PDB                                   
DBREF  4Y1V A    2   134  UNP    P09382   LEG1_HUMAN       3    135             
DBREF  4Y1V B    2   134  UNP    P09382   LEG1_HUMAN       3    135             
SEQADV 4Y1V MET A  -19  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V GLY A  -18  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V SER A  -17  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V SER A  -16  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V HIS A  -15  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V HIS A  -14  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V HIS A  -13  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V HIS A  -12  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V HIS A  -11  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V HIS A  -10  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V SER A   -9  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V SER A   -8  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V GLY A   -7  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V LEU A   -6  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V VAL A   -5  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V PRO A   -4  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V ARG A   -3  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V GLY A   -2  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V SER A   -1  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V HIS A    0  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V MET A    1  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V MET B  -19  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V GLY B  -18  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V SER B  -17  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V SER B  -16  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V HIS B  -15  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V HIS B  -14  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V HIS B  -13  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V HIS B  -12  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V HIS B  -11  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V HIS B  -10  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V SER B   -9  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V SER B   -8  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V GLY B   -7  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V LEU B   -6  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V VAL B   -5  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V PRO B   -4  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V ARG B   -3  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V GLY B   -2  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V SER B   -1  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V HIS B    0  UNP  P09382              EXPRESSION TAG                 
SEQADV 4Y1V MET B    1  UNP  P09382              EXPRESSION TAG                 
SEQRES   1 A  154  MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY          
SEQRES   2 A  154  LEU VAL PRO ARG GLY SER HIS MET CYS GLY LEU VAL ALA          
SEQRES   3 A  154  SER ASN LEU ASN LEU LYS PRO GLY GLU CSO LEU ARG VAL          
SEQRES   4 A  154  ARG GLY GLU VAL ALA PRO ASP ALA LYS SER PHE VAL LEU          
SEQRES   5 A  154  ASN LEU GLY LYS ASP SER ASN ASN LEU CSO LEU HIS PHE          
SEQRES   6 A  154  ASN PRO ARG PHE ASN ALA HIS GLY ASP ALA ASN THR ILE          
SEQRES   7 A  154  VAL CSO ASN SER LYS ASP GLY GLY ALA TRP GLY THR GLU          
SEQRES   8 A  154  GLN ARG GLU ALA VAL PHE PRO PHE GLN PRO GLY SER VAL          
SEQRES   9 A  154  ALA GLU VAL CSO ILE THR PHE ASP GLN ALA ASN LEU THR          
SEQRES  10 A  154  VAL LYS LEU PRO ASP GLY TYR GLU PHE LYS PHE PRO ASN          
SEQRES  11 A  154  ARG LEU ASN LEU GLU ALA ILE ASN TYR MET ALA ALA ASP          
SEQRES  12 A  154  GLY ASP PHE LYS ILE LYS CSO VAL ALA PHE ASP                  
SEQRES   1 B  154  MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY          
SEQRES   2 B  154  LEU VAL PRO ARG GLY SER HIS MET CYS GLY LEU VAL ALA          
SEQRES   3 B  154  SER ASN LEU ASN LEU LYS PRO GLY GLU CSO LEU ARG VAL          
SEQRES   4 B  154  ARG GLY GLU VAL ALA PRO ASP ALA LYS SER PHE VAL LEU          
SEQRES   5 B  154  ASN LEU GLY LYS ASP SER ASN ASN LEU CSO LEU HIS PHE          
SEQRES   6 B  154  ASN PRO ARG PHE ASN ALA HIS GLY ASP ALA ASN THR ILE          
SEQRES   7 B  154  VAL CSO ASN SER LYS ASP GLY GLY ALA TRP GLY THR GLU          
SEQRES   8 B  154  GLN ARG GLU ALA VAL PHE PRO PHE GLN PRO GLY SER VAL          
SEQRES   9 B  154  ALA GLU VAL CSO ILE THR PHE ASP GLN ALA ASN LEU THR          
SEQRES  10 B  154  VAL LYS LEU PRO ASP GLY TYR GLU PHE LYS PHE PRO ASN          
SEQRES  11 B  154  ARG LEU ASN LEU GLU ALA ILE ASN TYR MET ALA ALA ASP          
SEQRES  12 B  154  GLY ASP PHE LYS ILE LYS CSO VAL ALA PHE ASP                  
MODRES 4Y1V CSO A   16  CYS  MODIFIED RESIDUE                                   
MODRES 4Y1V CSO A   42  CYS  MODIFIED RESIDUE                                   
MODRES 4Y1V CSO A   60  CYS  MODIFIED RESIDUE                                   
MODRES 4Y1V CSO A   88  CYS  MODIFIED RESIDUE                                   
MODRES 4Y1V CSO A  130  CYS  MODIFIED RESIDUE                                   
MODRES 4Y1V CSO B   16  CYS  MODIFIED RESIDUE                                   
MODRES 4Y1V CSO B   42  CYS  MODIFIED RESIDUE                                   
MODRES 4Y1V CSO B   60  CYS  MODIFIED RESIDUE                                   
MODRES 4Y1V CSO B   88  CYS  MODIFIED RESIDUE                                   
MODRES 4Y1V CSO B  130  CYS  MODIFIED RESIDUE                                   
HET    CSO  A  16       7                                                       
HET    CSO  A  42       7                                                       
HET    CSO  A  60       7                                                       
HET    CSO  A  88       7                                                       
HET    CSO  A 130       7                                                       
HET    CSO  B  16       7                                                       
HET    CSO  B  42       7                                                       
HET    CSO  B  60       7                                                       
HET    CSO  B  88       7                                                       
HET    CSO  B 130       7                                                       
HET    MAG  A 201      15                                                       
HET    GAL  A 202      12                                                       
HET    MAG  B 201      15                                                       
HET    GAL  B 202      12                                                       
HETNAM     CSO S-HYDROXYCYSTEINE                                                
HETNAM     MAG BETA-METHYL-N-ACETYL-D-GLUCOSAMINE                               
HETNAM     GAL BETA-D-GALACTOSE                                                 
FORMUL   1  CSO    10(C3 H7 N O3 S)                                             
FORMUL   3  MAG    2(C9 H17 N O6)                                               
FORMUL   3  GAL    2(C6 H12 O6)                                                 
FORMUL   5  HOH   *60(H2 O)                                                     
SHEET    1 AA112 ALA A  67  TRP A  68  0                                        
SHEET    2 AA112 ASP A  54  ASP A  64 -1  N  ASP A  64   O  ALA A  67           
SHEET    3 AA112 ASN A  40  ALA A  51 -1  N  ALA A  51   O  ASP A  54           
SHEET    4 AA112 PHE A  30  ASP A  37 -1  N  LEU A  32   O  PHE A  45           
SHEET    5 AA112 ILE A 117  GLY A 124 -1  O  ALA A 121   N  ASN A  33           
SHEET    6 AA112 VAL A   5  LEU A  11 -1  N  ALA A   6   O  MET A 120           
SHEET    7 AA112 VAL B   5  LEU B  11 -1  O  SER B   7   N  VAL A   5           
SHEET    8 AA112 ILE B 117  GLY B 124 -1  O  MET B 120   N  ALA B   6           
SHEET    9 AA112 PHE B  30  ASP B  37 -1  N  ASN B  33   O  ALA B 121           
SHEET   10 AA112 ASN B  40  ALA B  51 -1  O  PHE B  45   N  LEU B  32           
SHEET   11 AA112 ASP B  54  ASP B  64 -1  O  THR B  57   N  ARG B  48           
SHEET   12 AA112 ALA B  67  TRP B  68 -1  O  ALA B  67   N  ASP B  64           
SHEET    1 AA212 GLN A  72  GLU A  74  0                                        
SHEET    2 AA212 ASP A  54  ASP A  64 -1  N  CSO A  60   O  GLN A  72           
SHEET    3 AA212 ASN A  40  ALA A  51 -1  N  ALA A  51   O  ASP A  54           
SHEET    4 AA212 PHE A  30  ASP A  37 -1  N  LEU A  32   O  PHE A  45           
SHEET    5 AA212 ILE A 117  GLY A 124 -1  O  ALA A 121   N  ASN A  33           
SHEET    6 AA212 VAL A   5  LEU A  11 -1  N  ALA A   6   O  MET A 120           
SHEET    7 AA212 VAL B   5  LEU B  11 -1  O  SER B   7   N  VAL A   5           
SHEET    8 AA212 ILE B 117  GLY B 124 -1  O  MET B 120   N  ALA B   6           
SHEET    9 AA212 PHE B  30  ASP B  37 -1  N  ASN B  33   O  ALA B 121           
SHEET   10 AA212 ASN B  40  ALA B  51 -1  O  PHE B  45   N  LEU B  32           
SHEET   11 AA212 ASP B  54  ASP B  64 -1  O  THR B  57   N  ARG B  48           
SHEET   12 AA212 GLN B  72  GLU B  74 -1  O  GLN B  72   N  CSO B  60           
SHEET    1 AA310 GLU A 105  PRO A 109  0                                        
SHEET    2 AA310 ASN A  95  LYS A  99 -1  N  LEU A  96   O  PHE A 108           
SHEET    3 AA310 SER A  83  PHE A  91 -1  N  THR A  90   O  THR A  97           
SHEET    4 AA310 LEU A  17  VAL A  23 -1  N  VAL A  23   O  SER A  83           
SHEET    5 AA310 PHE A 126  PHE A 133 -1  O  LYS A 129   N  ARG A  20           
SHEET    6 AA310 PHE B 126  PHE B 133 -1  O  PHE B 133   N  LYS A 129           
SHEET    7 AA310 LEU B  17  VAL B  23 -1  N  ARG B  20   O  LYS B 129           
SHEET    8 AA310 SER B  83  PHE B  91 -1  O  ILE B  89   N  LEU B  17           
SHEET    9 AA310 ASN B  95  LYS B  99 -1  O  THR B  97   N  THR B  90           
SHEET   10 AA310 GLU B 105  PRO B 109 -1  O  PHE B 108   N  LEU B  96           
LINK         C   GLU A  15                 N   CSO A  16     1555   1555  1.33  
LINK         C   CSO A  16                 N   LEU A  17     1555   1555  1.33  
LINK         C   LEU A  41                 N   CSO A  42     1555   1555  1.33  
LINK         C   CSO A  42                 N   LEU A  43     1555   1555  1.33  
LINK         C   VAL A  59                 N   CSO A  60     1555   1555  1.33  
LINK         C   CSO A  60                 N   ASN A  61     1555   1555  1.33  
LINK         C   VAL A  87                 N   CSO A  88     1555   1555  1.33  
LINK         C   CSO A  88                 N   ILE A  89     1555   1555  1.33  
LINK         C   LYS A 129                 N   CSO A 130     1555   1555  1.33  
LINK         C   CSO A 130                 N   VAL A 131     1555   1555  1.33  
LINK         C   GLU B  15                 N   CSO B  16     1555   1555  1.33  
LINK         C   CSO B  16                 N   LEU B  17     1555   1555  1.33  
LINK         C   LEU B  41                 N   CSO B  42     1555   1555  1.33  
LINK         C   CSO B  42                 N   LEU B  43     1555   1555  1.33  
LINK         C   VAL B  59                 N   CSO B  60     1555   1555  1.33  
LINK         C   CSO B  60                 N   ASN B  61     1555   1555  1.33  
LINK         C   VAL B  87                 N   CSO B  88     1555   1555  1.33  
LINK         C   CSO B  88                 N   ILE B  89     1555   1555  1.33  
LINK         C   LYS B 129                 N   CSO B 130     1555   1555  1.33  
LINK         C   CSO B 130                 N   VAL B 131     1555   1555  1.33  
LINK         C3  MAG A 201                 O1  GAL A 202     1555   1555  1.46  
LINK         C3  MAG B 201                 O1  GAL B 202     1555   1555  1.48  
SITE     1 AC1  6 HIS A  44  ARG A  48  ASN A  61  TRP A  68                    
SITE     2 AC1  6 GLU A  71  ARG A  73                                          
SITE     1 AC2  8 THR A  70  HIS B  44  ASN B  46  ARG B  48                    
SITE     2 AC2  8 ASN B  61  GLU B  71  ARG B  73  HOH B 304                    
CRYST1   43.715   58.291  111.591  90.00  90.00  90.00 P 21 21 21    8          
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      0.022875  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.017155  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.008961        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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