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Database: PDB
Entry: 3UUL
LinkDB: 3UUL
Original site: 3UUL 
HEADER    STRUCTURAL PROTEIN                      28-NOV-11   3UUL              
TITLE     CRYSTAL STRUCTURE OF FIRST N-TERMINAL UTROPHIN SPECTRIN REPEAT        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: UTROPHIN;                                                  
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: SPECTRIN REPEAT, RESIDUES 308-425;                         
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                              
SOURCE   3 ORGANISM_COMMON: RAT;                                                
SOURCE   4 ORGANISM_TAXID: 10116;                                               
SOURCE   5 TISSUE: MUSCLE;                                                      
SOURCE   6 GENE: UTRN;                                                          
SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   8 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
SOURCE  10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  11 EXPRESSION_SYSTEM_PLASMID: PPROEXHTB                                 
KEYWDS    SPECTRIN REPEAT, STRUCTURAL PROTEIN, UTROPHIN, CYTOSKELETAL, TRIPLE   
KEYWDS   2 HELICAL BUNDLE                                                       
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    M.MUTHU,K.A.RICHARDSON,A.J.SUTHERLAND-SMITH                           
REVDAT   2   25-DEC-19 3UUL    1       REMARK                                   
REVDAT   1   19-SEP-12 3UUL    0                                                
JRNL        AUTH   M.MUTHU,K.A.RICHARDSON,A.J.SUTHERLAND-SMITH                  
JRNL        TITL   THE CRYSTAL STRUCTURES OF DYSTROPHIN AND UTROPHIN SPECTRIN   
JRNL        TITL 2 REPEATS: IMPLICATIONS FOR DOMAIN BOUNDARIES                  
JRNL        REF    PLOS ONE                      V.   7 40066 2012              
JRNL        REFN                   ESSN 1932-6203                               
JRNL        PMID   22911693                                                     
JRNL        DOI    10.1371/JOURNAL.PONE.0040066                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.95 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.6.0101                                      
REMARK   3   AUTHORS     : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER,              
REMARK   3               : NICHOLLS,WINN,LONG,VAGIN                             
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.95                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 27.63                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.3                           
REMARK   3   NUMBER OF REFLECTIONS             : 16320                          
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) : 0.200                           
REMARK   3   R VALUE            (WORKING SET) : 0.198                           
REMARK   3   FREE R VALUE                     : 0.235                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.100                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 876                             
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) : 1.95                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.00                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 1060                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 100.0                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2910                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 16320                        
REMARK   3   BIN FREE R VALUE                    : 0.3760                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1851                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 1                                       
REMARK   3   SOLVENT ATOMS            : 206                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 36.64                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 31.51                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -1.11000                                             
REMARK   3    B22 (A**2) : 3.65000                                              
REMARK   3    B33 (A**2) : -2.55000                                             
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): NULL          
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.168         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.141         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 9.606         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.947                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.928                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  1878 ; 0.015 ; 0.021       
REMARK   3   BOND LENGTHS OTHERS               (A):  1202 ; 0.001 ; 0.020       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  2540 ; 1.236 ; 1.945       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  2957 ; 0.954 ; 3.000       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   234 ; 4.588 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   106 ;35.086 ;26.604       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   346 ;13.924 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):     8 ;17.949 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   290 ; 0.073 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  2124 ; 0.005 ; 0.020       
REMARK   3   GENERAL PLANES OTHERS             (A):   344 ; 0.001 ; 0.020       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):  NULL ;  NULL ;  NULL       
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):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):  NULL ;  NULL ;  NULL       
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):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B REFINED ATOMS     (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B OTHER ATOMS       (A**2):  NULL ;  NULL ;  NULL       
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 : 1                                 
REMARK   3                                                                      
REMARK   3  NCS GROUP NUMBER               : 1                                  
REMARK   3     CHAIN NAMES                    : A B                             
REMARK   3     NUMBER OF COMPONENTS NCS GROUP : 8                               
REMARK   3       COMPONENT C  SSSEQI  TO  C   SSSEQI   CODE                     
REMARK   3           1     A    311       A     333      4                      
REMARK   3           1     B    311       B     333      4                      
REMARK   3           2     A    343       A     357      4                      
REMARK   3           2     B    343       B     357      4                      
REMARK   3           3     A    366       A     370      4                      
REMARK   3           3     B    366       B     370      4                      
REMARK   3           4     A    372       A     377      4                      
REMARK   3           4     B    372       B     377      4                      
REMARK   3           5     A    383       A     401      4                      
REMARK   3           5     B    383       B     401      4                      
REMARK   3           6     A    406       A     410      4                      
REMARK   3           6     B    406       B     410      4                      
REMARK   3           7     A    412       A     423      4                      
REMARK   3           7     B    412       B     423      4                      
REMARK   3           8     A    358       A     365      5                      
REMARK   3           8     B    358       B     365      5                      
REMARK   3                   GROUP CHAIN        COUNT   RMS     WEIGHT          
REMARK   3   MEDIUM POSITIONAL  1    A    (A):   1165 ; 0.290 ; 0.800           
REMARK   3   LOOSE POSITIONAL   1    A    (A):     44 ; 0.730 ; 5.000           
REMARK   3   MEDIUM THERMAL     1    A (A**2):   1165 ; 2.040 ;10.000           
REMARK   3   LOOSE THERMAL      1    A (A**2):     44 ; 1.810 ;10.000           
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 2                                          
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   310        A   424                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.9353   5.1828 -22.6522              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0382 T22:   0.0080                                     
REMARK   3      T33:   0.0519 T12:  -0.0152                                     
REMARK   3      T13:   0.0067 T23:  -0.0071                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2507 L22:   0.0569                                     
REMARK   3      L33:   2.3348 L12:  -0.1188                                     
REMARK   3      L13:  -0.4328 L23:   0.1944                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0146 S12:  -0.0046 S13:  -0.0469                       
REMARK   3      S21:   0.0088 S22:   0.0004 S23:   0.0268                       
REMARK   3      S31:  -0.1237 S32:   0.1009 S33:   0.0142                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   308        B   424                          
REMARK   3    ORIGIN FOR THE GROUP (A): -21.6485   3.9545 -34.6668              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0272 T22:   0.0229                                     
REMARK   3      T33:   0.0462 T12:   0.0220                                     
REMARK   3      T13:   0.0041 T23:   0.0127                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2920 L22:   0.1943                                     
REMARK   3      L33:   1.7892 L12:   0.2381                                     
REMARK   3      L13:  -0.4863 L23:  -0.3855                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0036 S12:   0.0010 S13:  -0.0226                       
REMARK   3      S21:  -0.0035 S22:   0.0020 S23:  -0.0189                       
REMARK   3      S31:  -0.0697 S32:  -0.0359 S33:   0.0016                       
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 USED IF PRESENT IN    
REMARK   3  THE INPUT                                                           
REMARK   4                                                                      
REMARK   4 3UUL COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 06-DEC-11.                  
REMARK 100 THE DEPOSITION ID IS D_1000069227.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 11-SEP-07                          
REMARK 200  TEMPERATURE           (KELVIN) : 120                                
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 MICROMAX-007                
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : OSMIC MIRRORS                      
REMARK 200  OPTICS                         : OSMIC BLUE CONFOCAL MIRRORS        
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU RAXIS IV++                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 16320                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.950                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 35.920                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 3.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 4.000                              
REMARK 200  R MERGE                    (I) : 0.08500                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 10.2000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.95                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.00                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.40600                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 3.000                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: MOLREP                                                
REMARK 200 STARTING MODEL: 1S35                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 41.69                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.11                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 25% PEG 4000, 0.1M TRIS HCL, 0.2M        
REMARK 280  MAGNESIUM CHLORIDE, PH 8.5, VAPOR DIFFUSION, HANGING DROP,          
REMARK 280  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       21.50000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       45.72500            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       29.33000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       45.72500            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       21.50000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       29.33000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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     ASP A   308                                                      
REMARK 465     MET A   309                                                      
REMARK 465     LYS A   425                                                      
REMARK 465     LYS B   425                                                      
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     GLU A 421    CG   CD   OE1  OE2                                  
REMARK 470     LYS A 424    CG   CD   CE   NZ                                   
REMARK 470     ASP B 308    CG   OD1  OD2                                       
REMARK 470     MET B 309    CG   SD   CE                                        
REMARK 470     GLN B 335    CG   CD   OE1  NE2                                  
REMARK 470     ASP B 340    CG   OD1  OD2                                       
REMARK 480                                                                      
REMARK 480 ZERO OCCUPANCY ATOM                                                  
REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO                  
REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS                
REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;              
REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):         
REMARK 480   M RES C SSEQI ATOMS                                                
REMARK 480     GLU B  385   CD   OE1  OE2                                       
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   CB   ASP B   308     CB   ALA B   372              1.91            
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    MET B 309      -57.02    -23.89                                   
REMARK 500    GLU B 334       34.42    -84.77                                   
REMARK 500    ILE B 338       92.70    -68.93                                   
REMARK 500    ASP B 340       30.57    -94.78                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG A   1  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 LEU A 382   O                                                      
REMARK 620 2 HOH A 198   O    88.2                                              
REMARK 620 N                    1                                               
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 1                    
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3UUM   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3UUN   RELATED DB: PDB                                   
DBREF  3UUL A  308   425  UNP    O55147   O55147_RAT     308    425             
DBREF  3UUL B  308   425  UNP    O55147   O55147_RAT     308    425             
SEQRES   1 A  118  ASP MET ASP LEU ASP SER TYR GLN ILE ALA LEU GLU GLU          
SEQRES   2 A  118  VAL LEU THR TRP LEU LEU SER ALA GLU ASP THR PHE GLN          
SEQRES   3 A  118  GLU GLN ASP ASP ILE SER ASP ASP VAL GLU ASP VAL LYS          
SEQRES   4 A  118  GLU GLN PHE ALA THR HIS GLU THR PHE MET MET GLU LEU          
SEQRES   5 A  118  SER ALA HIS GLN SER SER VAL GLY SER VAL LEU GLN ALA          
SEQRES   6 A  118  GLY ASN GLN LEU MET THR GLN GLY THR LEU SER ASP GLU          
SEQRES   7 A  118  GLU GLU PHE GLU ILE GLN GLU GLN MET THR LEU LEU ASN          
SEQRES   8 A  118  ALA ARG TRP GLU ALA LEU ARG VAL GLU SER MET GLU ARG          
SEQRES   9 A  118  GLN SER ARG LEU HIS ASP ALA LEU MET GLU LEU GLN LYS          
SEQRES  10 A  118  LYS                                                          
SEQRES   1 B  118  ASP MET ASP LEU ASP SER TYR GLN ILE ALA LEU GLU GLU          
SEQRES   2 B  118  VAL LEU THR TRP LEU LEU SER ALA GLU ASP THR PHE GLN          
SEQRES   3 B  118  GLU GLN ASP ASP ILE SER ASP ASP VAL GLU ASP VAL LYS          
SEQRES   4 B  118  GLU GLN PHE ALA THR HIS GLU THR PHE MET MET GLU LEU          
SEQRES   5 B  118  SER ALA HIS GLN SER SER VAL GLY SER VAL LEU GLN ALA          
SEQRES   6 B  118  GLY ASN GLN LEU MET THR GLN GLY THR LEU SER ASP GLU          
SEQRES   7 B  118  GLU GLU PHE GLU ILE GLN GLU GLN MET THR LEU LEU ASN          
SEQRES   8 B  118  ALA ARG TRP GLU ALA LEU ARG VAL GLU SER MET GLU ARG          
SEQRES   9 B  118  GLN SER ARG LEU HIS ASP ALA LEU MET GLU LEU GLN LYS          
SEQRES  10 B  118  LYS                                                          
HET     MG  A   1       1                                                       
HETNAM      MG MAGNESIUM ION                                                    
FORMUL   3   MG    MG 2+                                                        
FORMUL   4  HOH   *206(H2 O)                                                    
HELIX    1   1 ASP A  310  GLU A  334  1                                  25    
HELIX    2   2 ASP A  341  GLN A  379  1                                  39    
HELIX    3   3 SER A  383  LYS A  424  1                                  42    
HELIX    4   4 ASP B  310  GLU B  334  1                                  25    
HELIX    5   5 ASP B  341  GLY B  380  1                                  40    
HELIX    6   6 SER B  383  LYS B  424  1                                  42    
LINK         O   LEU A 382                MG    MG A   1     1555   1555  2.46  
LINK        MG    MG A   1                 O   HOH A 198     1555   1555  2.30  
SITE     1 AC1  4 HOH A 198  LEU A 382  ASP A 384  GLU A 387                    
CRYST1   43.000   58.660   91.450  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      0.023256  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.017047  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.010935        0.00000                         
MTRIX1   1  1.000000  0.000000  0.000000        0.00000    1                    
MTRIX2   1  0.000000  1.000000  0.000000        0.00000    1                    
MTRIX3   1  0.000000  0.000000  1.000000        0.00000    1                    
MTRIX1   2 -0.993654 -0.112395 -0.004367      -22.06544    1                    
MTRIX2   2 -0.112432  0.993614  0.009542       -0.92674    1                    
MTRIX3   2  0.003267  0.009973 -0.999945      -57.13296    1                    
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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