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Database: PDB
Entry: 2Q9V
LinkDB: 2Q9V
Original site: 2Q9V 
HEADER    TRANSFERASE                             14-JUN-07   2Q9V              
TITLE     CRYSTAL STRUCTURE OF THE C890S MUTANT OF THE 4TH PDZ DOMAIN OF HUMAN  
TITLE    2 MEMBRANE ASSOCIATED GUANYLATE KINASE                                 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: MEMBRANE-ASSOCIATED GUANYLATE KINASE, WW AND PDZ DOMAIN-   
COMPND   3 CONTAINING PROTEIN 1;                                                
COMPND   4 CHAIN: A;                                                            
COMPND   5 FRAGMENT: 4TH PDZ DOMAIN;                                            
COMPND   6 SYNONYM: BAI1-ASSOCIATED PROTEIN 1, BAP-1, MEMBRANE-ASSOCIATED       
COMPND   7 GUANYLATE KINASE INVERTED 1, MAGI-1, ATROPHIN-1-INTERACTING PROTEIN  
COMPND   8 3, AIP3, WW DOMAIN-CONTAINING PROTEIN 3, WWP3, TRINUCLEOTIDE REPEAT- 
COMPND   9 CONTAINING GENE 19 PROTEIN;                                          
COMPND  10 ENGINEERED: YES;                                                     
COMPND  11 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 TISSUE: BRAIN;                                                       
SOURCE   6 GENE: MAGI1, BAIAP1, BAP1, TNRC19;                                   
SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   8 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   9 EXPRESSION_SYSTEM_STRAIN: ROSETTA;                                   
SOURCE  10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  11 EXPRESSION_SYSTEM_PLASMID: PNIC28-BSA4                               
KEYWDS    PDZ, MEMBRANE ASSOCIATED GUANYLATE KINASE, CYS SER MUTANT, STRUCTURAL 
KEYWDS   2 GENOMICS CONSORTIUM, SGC, TRANSFERASE                                
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    E.S.PILKA,V.HOZJAN,K.L.KAVANAGH,E.PAPAGRIGORIOU,C.COOPER,J.M.ELKINS,  
AUTHOR   2 D.A.DOYLE,F.VON DELFT,M.SUNDSTROM,C.A.ARROWSMITH,J.WEIGELT,          
AUTHOR   3 A.EDWARDS,U.OPPERMANN,STRUCTURAL GENOMICS CONSORTIUM (SGC)           
REVDAT   3   13-JUL-11 2Q9V    1       VERSN                                    
REVDAT   2   24-FEB-09 2Q9V    1       VERSN                                    
REVDAT   1   26-JUN-07 2Q9V    0                                                
JRNL        AUTH   E.S.PILKA,V.HOZJAN,K.L.KAVANAGH,E.PAPAGRIGORIOU,C.COOPER,    
JRNL        AUTH 2 J.M.ELKINS,D.A.DOYLE,F.VON DELFT,M.SUNDSTROM,C.A.ARROWSMITH, 
JRNL        AUTH 3 J.WEIGELT,A.EDWARDS,U.OPPERMANN                              
JRNL        TITL   CRYSTAL STRUCTURE OF THE C890S MUTANT OF THE 4TH PDZ DOMAIN  
JRNL        TITL 2 OF HUMAN MEMBRANE ASSOCIATED GUANYLATE KINASE.               
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.00 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.3.0037                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 20.97                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 96.2                           
REMARK   3   NUMBER OF REFLECTIONS             : 5230                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.170                           
REMARK   3   R VALUE            (WORKING SET) : 0.167                           
REMARK   3   FREE R VALUE                     : 0.233                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.600                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 252                             
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.00                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.05                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 368                          
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 94.84                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.1830                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 18                           
REMARK   3   BIN FREE R VALUE                    : 0.2180                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 688                                     
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 104                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   B VALUE TYPE : LIKELY RESIDUAL                                     
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 23.59                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -0.01000                                             
REMARK   3    B22 (A**2) : -0.67000                                             
REMARK   3    B33 (A**2) : 0.68000                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.215         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.187         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.120         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 7.670         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.959                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.916                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):   700 ; 0.008 ; 0.021       
REMARK   3   BOND LENGTHS OTHERS               (A):   474 ; 0.001 ; 0.020       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):   947 ; 0.955 ; 1.959       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  1152 ; 0.831 ; 3.000       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):    89 ; 5.684 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):    33 ;35.930 ;23.939       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   116 ;11.276 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):     6 ;12.890 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   105 ; 0.060 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):   794 ; 0.003 ; 0.020       
REMARK   3   GENERAL PLANES OTHERS             (A):   139 ; 0.001 ; 0.020       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):   108 ; 0.181 ; 0.200       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):   506 ; 0.170 ; 0.200       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):   333 ; 0.160 ; 0.200       
REMARK   3   NON-BONDED TORSION OTHERS         (A):   363 ; 0.075 ; 0.200       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):    68 ; 0.084 ; 0.200       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):     8 ; 0.099 ; 0.200       
REMARK   3   SYMMETRY VDW OTHERS               (A):    41 ; 0.254 ; 0.200       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):    12 ; 0.060 ; 0.200       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):   458 ; 1.230 ; 3.000       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):   187 ; 0.266 ; 3.000       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):   709 ; 1.862 ; 5.000       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):   272 ; 3.267 ; 7.000       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):   238 ; 4.950 ;11.000       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   837        A   926                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.6197   1.2253  -1.6800              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0010 T22:   0.0110                                     
REMARK   3      T33:   0.0029 T12:  -0.0044                                     
REMARK   3      T13:   0.0117 T23:  -0.0030                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3978 L22:   1.1257                                     
REMARK   3      L33:   0.5898 L12:  -0.0382                                     
REMARK   3      L13:   0.2870 L23:   0.0058                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0178 S12:  -0.0236 S13:  -0.0367                       
REMARK   3      S21:   0.0065 S22:   0.0170 S23:  -0.1164                       
REMARK   3      S31:  -0.0261 S32:   0.0232 S33:  -0.0348                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : BABINET MODEL WITH MASK                              
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.20                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING   
REMARK   3  POSITIONS                                                           
REMARK   4                                                                      
REMARK   4 2Q9V COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-JUN-07.                  
REMARK 100 THE RCSB ID CODE IS RCSB043331.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 05-JUN-07                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 8.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU FR-E+ SUPERBRIGHT           
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : OSMIC                              
REMARK 200  OPTICS                         : OSMIC                              
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU RAXIS HTC                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 5434                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.000                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 23.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 2.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 96.9                               
REMARK 200  DATA REDUNDANCY                : 7.000                              
REMARK 200  R MERGE                    (I) : 0.06900                            
REMARK 200  R SYM                      (I) : 0.07500                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 27.8000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.11                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 95.1                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 7.20                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.29000                            
REMARK 200  R SYM FOR SHELL            (I) : 0.31300                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 5.700                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: PDB ENTRIES 2I04,2PNT,2OPG                           
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 38.36                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.00                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 1:2 PROTEIN:WELL SOLUTION RATIO, 20%     
REMARK 280  PEG 3350, 10% ETHYLENE GLYCOL, 200 MM SODIUM ACETATE, 100 MM BTP    
REMARK 280  PH 8.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K             
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       16.41050            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       27.25600            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       22.04250            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       27.25600            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       16.41050            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       22.04250            
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: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     LYS A 847    CD   CE   NZ                                        
REMARK 470     THR A 849    CG2                                                 
REMARK 470     LYS A 913    CD   CE   NZ                                        
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 A  59        DISTANCE =  5.12 ANGSTROMS                       
REMARK 525    HOH A  64        DISTANCE =  5.72 ANGSTROMS                       
DBREF  2Q9V A  839   922  UNP    Q96QZ7   MAGI1_HUMAN    839    922             
SEQADV 2Q9V SER A  837  UNP  Q96QZ7              CLONING ARTIFACT               
SEQADV 2Q9V MET A  838  UNP  Q96QZ7              CLONING ARTIFACT               
SEQADV 2Q9V SER A  890  UNP  Q96QZ7    CYS   890 ENGINEERED                     
SEQADV 2Q9V GLN A  923  UNP  Q96QZ7              CLONING ARTIFACT               
SEQADV 2Q9V THR A  924  UNP  Q96QZ7              CLONING ARTIFACT               
SEQADV 2Q9V ARG A  925  UNP  Q96QZ7              CLONING ARTIFACT               
SEQADV 2Q9V LEU A  926  UNP  Q96QZ7              CLONING ARTIFACT               
SEQRES   1 A   90  SER MET GLU GLN ASP ILE PHE LEU TRP ARG LYS GLU THR          
SEQRES   2 A   90  GLY PHE GLY PHE ARG ILE LEU GLY GLY ASN GLU PRO GLY          
SEQRES   3 A   90  GLU PRO ILE TYR ILE GLY HIS ILE VAL PRO LEU GLY ALA          
SEQRES   4 A   90  ALA ASP THR ASP GLY ARG LEU ARG SER GLY ASP GLU LEU          
SEQRES   5 A   90  ILE SER VAL ASP GLY THR PRO VAL ILE GLY LYS SER HIS          
SEQRES   6 A   90  GLN LEU VAL VAL GLN LEU MET GLN GLN ALA ALA LYS GLN          
SEQRES   7 A   90  GLY HIS VAL ASN LEU THR VAL ARG GLN THR ARG LEU              
FORMUL   2  HOH   *104(H2 O)                                                    
HELIX    1   1 GLY A  874  GLY A  880  1                                   7    
HELIX    2   2 SER A  900  GLY A  915  1                                  16    
SHEET    1   A 4 MET A 838  TRP A 845  0                                        
SHEET    2   A 4 HIS A 916  GLN A 923 -1  O  GLN A 923   N  MET A 838           
SHEET    3   A 4 GLU A 887  VAL A 891 -1  N  ILE A 889   O  THR A 920           
SHEET    4   A 4 THR A 894  PRO A 895 -1  O  THR A 894   N  VAL A 891           
SHEET    1   B 2 PHE A 853  GLY A 857  0                                        
SHEET    2   B 2 ILE A 865  ILE A 870 -1  O  TYR A 866   N  LEU A 856           
CRYST1   32.821   44.085   54.512  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      0.030468  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.022683  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.018345        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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