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Entry: 3GD8
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HEADER    MEMBRANE PROTEIN                        23-FEB-09   3GD8              
TITLE     CRYSTAL STRUCTURE OF HUMAN AQUAPORIN 4 AT 1.8 AND ITS MECHANISM OF    
TITLE    2 CONDUCTANCE                                                          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: AQUAPORIN-4;                                               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: HAQP4 TRYPSINIZED (RESIDUE 32-254);                        
COMPND   5 SYNONYM: AQP-4, WCH4, MERCURIAL-INSENSITIVE WATER CHANNEL, MIWC;     
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: AQP4;                                                          
SOURCE   6 EXPRESSION_SYSTEM: PICHIA PASTORIS;                                  
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 4922;                                       
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: X-33;                                      
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PPICZ                                 
KEYWDS    BRAIN EDEMA, AQUAPORIN, PROTON EXCLUSION, STRUCTURAL GENOMICS, PSI-2, 
KEYWDS   2 PROTEIN STRUCTURE INITIATIVE, CENTER FOR STRUCTURES OF MEMBRANE      
KEYWDS   3 PROTEINS, CSMP, GLYCOPROTEIN, MEMBRANE, PHOSPHOPROTEIN,              
KEYWDS   4 TRANSMEMBRANE, TRANSPORT, MEMBRANE PROTEIN                           
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.D.HO,R.YEH,A.SANDSTROM,I.CHORNY,W.E.C.HARRIES,R.A.ROBBINS,          
AUTHOR   2 L.J.W.MIERCKE,R.M.STROUD,CENTER FOR STRUCTURES OF MEMBRANE PROTEINS  
AUTHOR   3 (CSMP)                                                               
REVDAT   5   29-JUL-20 3GD8    1       COMPND REMARK HETNAM SITE                
REVDAT   4   13-JUL-11 3GD8    1       VERSN                                    
REVDAT   3   21-JUL-09 3GD8    1       JRNL                                     
REVDAT   2   12-MAY-09 3GD8    1       JRNL                                     
REVDAT   1   31-MAR-09 3GD8    0                                                
JRNL        AUTH   J.D.HO,R.YEH,A.SANDSTROM,I.CHORNY,W.E.HARRIES,R.A.ROBBINS,   
JRNL        AUTH 2 L.J.MIERCKE,R.M.STROUD                                       
JRNL        TITL   CRYSTAL STRUCTURE OF HUMAN AQUAPORIN 4 AT 1.8 A AND ITS      
JRNL        TITL 2 MECHANISM OF CONDUCTANCE.                                    
JRNL        REF    PROC.NATL.ACAD.SCI.USA        V. 106  7437 2009              
JRNL        REFN                   ISSN 0027-8424                               
JRNL        PMID   19383790                                                     
JRNL        DOI    10.1073/PNAS.0902725106                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.80 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.2.0019                                      
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) : 1.80                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 36.13                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.8                           
REMARK   3   NUMBER OF REFLECTIONS             : 23583                          
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) : 0.160                           
REMARK   3   R VALUE            (WORKING SET) : 0.160                           
REMARK   3   FREE R VALUE                     : 0.165                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.100                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1265                            
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) : 1.80                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.85                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 1706                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 98.90                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.1790                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 86                           
REMARK   3   BIN FREE R VALUE                    : 0.1820                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1654                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 50                                      
REMARK   3   SOLVENT ATOMS            : 62                                      
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) : 21.21                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -0.21000                                             
REMARK   3    B22 (A**2) : -0.21000                                             
REMARK   3    B33 (A**2) : 0.42000                                              
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): 0.096         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.083         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.047         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.241         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.959                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.962                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  1757 ; 0.009 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):  1136 ; 0.001 ; 0.020       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  2390 ; 1.047 ; 1.967       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  2794 ; 0.900 ; 3.000       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   226 ; 5.179 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):    52 ;30.498 ;23.077       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   259 ;12.978 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):     3 ;21.784 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   286 ; 0.066 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  1900 ; 0.004 ; 0.021       
REMARK   3   GENERAL PLANES OTHERS             (A):   354 ; 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):    57 ; 0.130 ; 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):     7 ; 0.090 ; 0.200       
REMARK   3   SYMMETRY VDW OTHERS               (A):    54 ; 0.197 ; 0.200       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):     6 ; 0.152 ; 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):  1106 ; 0.392 ; 1.500       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):   465 ; 0.121 ; 1.500       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  1784 ; 0.709 ; 2.000       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):   651 ; 1.314 ; 3.000       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):   605 ; 2.054 ; 4.500       
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 : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 19                                         
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    32        A    36                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.5880 -10.7350   4.1430              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1678 T22:   0.0709                                     
REMARK   3      T33:   0.1616 T12:   0.0548                                     
REMARK   3      T13:   0.0056 T23:   0.1317                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  58.6122 L22:  51.2100                                     
REMARK   3      L33:  97.5897 L12:   0.0000                                     
REMARK   3      L13:   0.0000 L23:   0.0000                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5839 S12:   1.1593 S13:   2.9200                       
REMARK   3      S21:   0.5241 S22:   0.9804 S23:   1.2543                       
REMARK   3      S31:  -2.0218 S32:  -1.2571 S33:  -1.5643                       
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 :   A    37        A    47                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -1.1360 -16.3790  14.8170              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0303 T22:  -0.0316                                     
REMARK   3      T33:  -0.0206 T12:   0.0023                                     
REMARK   3      T13:  -0.0094 T23:   0.0374                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5268 L22:   4.8769                                     
REMARK   3      L33:   4.9459 L12:   0.1417                                     
REMARK   3      L13:  -0.6626 L23:  -1.0133                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0448 S12:   0.1796 S13:   0.2734                       
REMARK   3      S21:  -0.1532 S22:   0.1599 S23:  -0.0523                       
REMARK   3      S31:  -0.2907 S32:  -0.2835 S33:  -0.1152                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    48        A    59                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -1.8270 -24.4100  30.1000              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0722 T22:  -0.0874                                     
REMARK   3      T33:  -0.0657 T12:  -0.0086                                     
REMARK   3      T13:   0.0015 T23:  -0.0221                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.6824 L22:   2.6757                                     
REMARK   3      L33:   7.0618 L12:  -0.8426                                     
REMARK   3      L13:  -1.8584 L23:   0.8197                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0473 S12:  -0.2199 S13:   0.0926                       
REMARK   3      S21:   0.0896 S22:  -0.0212 S23:   0.0320                       
REMARK   3      S31:  -0.0205 S32:  -0.0528 S33:   0.0686                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    60        A    65                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.7670 -25.7080  46.2830              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7576 T22:   0.7699                                     
REMARK   3      T33:   0.3729 T12:   0.0460                                     
REMARK   3      T13:   0.1165 T23:  -0.2119                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  51.0506 L22:  73.3913                                     
REMARK   3      L33:  82.7938 L12:   2.7984                                     
REMARK   3      L13:  -8.4317 L23:   5.2320                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.2514 S12:  -5.9029 S13:   2.3218                       
REMARK   3      S21:   5.0672 S22:   0.0770 S23:  -2.0560                       
REMARK   3      S31:  -2.1399 S32:   2.6216 S33:  -1.3285                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    66        A    71                          
REMARK   3    ORIGIN FOR THE GROUP (A):   2.2170 -34.2780  36.1930              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1614 T22:   0.3762                                     
REMARK   3      T33:  -0.0164 T12:   0.1357                                     
REMARK   3      T13:   0.0264 T23:  -0.0320                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  28.2222 L22:  21.2315                                     
REMARK   3      L33:  82.8711 L12:  -4.7260                                     
REMARK   3      L13:  16.2630 L23:   7.6105                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.0308 S12:  -3.5912 S13:   0.3302                       
REMARK   3      S21:   1.9875 S22:   0.3743 S23:   0.2244                       
REMARK   3      S31:  -1.7779 S32:  -2.8241 S33:   0.6566                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    72        A    92                          
REMARK   3    ORIGIN FOR THE GROUP (A):   0.0020 -27.7380  16.5900              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0674 T22:  -0.0865                                     
REMARK   3      T33:  -0.0857 T12:  -0.0058                                     
REMARK   3      T13:   0.0082 T23:   0.0107                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5625 L22:   2.9065                                     
REMARK   3      L33:   5.8975 L12:  -0.7806                                     
REMARK   3      L13:   1.0517 L23:  -2.1987                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0324 S12:   0.1305 S13:   0.1054                       
REMARK   3      S21:  -0.1651 S22:  -0.0102 S23:  -0.0079                       
REMARK   3      S31:  -0.1539 S32:   0.0199 S33:   0.0426                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    93        A   102                          
REMARK   3    ORIGIN FOR THE GROUP (A):   9.1410 -20.2050  13.5580              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0166 T22:  -0.0396                                     
REMARK   3      T33:  -0.0515 T12:  -0.0193                                     
REMARK   3      T13:   0.0247 T23:   0.0446                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.0583 L22:   1.6588                                     
REMARK   3      L33:   6.4385 L12:  -0.5595                                     
REMARK   3      L13:   2.4442 L23:  -1.2497                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0709 S12:   0.1779 S13:  -0.0162                       
REMARK   3      S21:  -0.3188 S22:   0.0922 S23:   0.0412                       
REMARK   3      S31:  -0.0080 S32:  -0.1090 S33:  -0.1632                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   103        A   115                          
REMARK   3    ORIGIN FOR THE GROUP (A):  14.7690 -16.2900   5.7090              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0716 T22:   0.1360                                     
REMARK   3      T33:   0.0069 T12:  -0.0440                                     
REMARK   3      T13:   0.0856 T23:   0.0989                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.6660 L22:  12.7926                                     
REMARK   3      L33:  10.8012 L12:  -6.9296                                     
REMARK   3      L13:   2.5390 L23:  -0.1866                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3860 S12:   0.7722 S13:   0.3942                       
REMARK   3      S21:  -0.4293 S22:  -0.5419 S23:  -0.0662                       
REMARK   3      S31:  -0.1966 S32:   0.2536 S33:   0.1559                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   116        A   132                          
REMARK   3    ORIGIN FOR THE GROUP (A):   3.2380 -12.4900  18.4860              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0582 T22:  -0.0725                                     
REMARK   3      T33:   0.0095 T12:  -0.0026                                     
REMARK   3      T13:   0.0116 T23:   0.0405                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1071 L22:   1.1662                                     
REMARK   3      L33:   9.8576 L12:  -0.7054                                     
REMARK   3      L13:  -5.1669 L23:   0.4683                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1499 S12:   0.2452 S13:   0.3780                       
REMARK   3      S21:  -0.1973 S22:  -0.0157 S23:  -0.0392                       
REMARK   3      S31:  -0.5947 S32:  -0.2003 S33:  -0.1341                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   133        A   148                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -2.2990 -18.1680  35.3940              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0168 T22:  -0.0360                                     
REMARK   3      T33:  -0.0087 T12:   0.0126                                     
REMARK   3      T13:   0.0273 T23:  -0.0358                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.5623 L22:   0.9071                                     
REMARK   3      L33:   1.5217 L12:   0.6574                                     
REMARK   3      L13:  -0.4769 L23:   0.0387                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0078 S12:  -0.3027 S13:   0.3431                       
REMARK   3      S21:   0.1276 S22:  -0.0251 S23:   0.0765                       
REMARK   3      S31:  -0.2569 S32:  -0.1190 S33:   0.0329                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   149        A   154                          
REMARK   3    ORIGIN FOR THE GROUP (A):  17.3070 -25.4730  37.5600              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0267 T22:  -0.0490                                     
REMARK   3      T33:  -0.0191 T12:  -0.0307                                     
REMARK   3      T13:  -0.0171 T23:  -0.0596                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  20.4206 L22:  15.9608                                     
REMARK   3      L33:   0.0000 L12:  10.9028                                     
REMARK   3      L13:  -6.3191 L23:   0.0000                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3620 S12:  -0.6643 S13:   0.4752                       
REMARK   3      S21:   0.5784 S22:   0.4641 S23:  -0.4215                       
REMARK   3      S31:  -0.2410 S32:  -0.3279 S33:  -0.1021                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   155        A   171                          
REMARK   3    ORIGIN FOR THE GROUP (A):  19.4480 -27.1220  23.7080              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0829 T22:  -0.0399                                     
REMARK   3      T33:  -0.0545 T12:  -0.0421                                     
REMARK   3      T13:   0.0083 T23:   0.0071                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1035 L22:   2.0435                                     
REMARK   3      L33:   8.7454 L12:   0.6954                                     
REMARK   3      L13:   2.6710 L23:   1.9503                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0282 S12:   0.0720 S13:   0.1198                       
REMARK   3      S21:   0.0244 S22:  -0.0063 S23:  -0.2452                       
REMARK   3      S31:  -0.1461 S32:   0.4528 S33:   0.0345                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   172        A   177                          
REMARK   3    ORIGIN FOR THE GROUP (A):  13.8010 -30.8200   9.3790              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0148 T22:  -0.0233                                     
REMARK   3      T33:  -0.0831 T12:  -0.0377                                     
REMARK   3      T13:   0.0324 T23:   0.0354                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.2750 L22:   4.4903                                     
REMARK   3      L33:   7.4915 L12:  -1.1222                                     
REMARK   3      L13:   3.7075 L23:   1.8162                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0500 S12:   0.4925 S13:   0.2380                       
REMARK   3      S21:  -0.5423 S22:  -0.0217 S23:   0.0433                       
REMARK   3      S31:  -0.1472 S32:   0.2443 S33:  -0.0283                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   178        A   185                          
REMARK   3    ORIGIN FOR THE GROUP (A):  11.9520 -35.3890   0.7290              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1955 T22:   0.3089                                     
REMARK   3      T33:  -0.0407 T12:  -0.1176                                     
REMARK   3      T13:   0.0201 T23:  -0.0080                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  17.2494 L22:  11.0547                                     
REMARK   3      L33:   9.8179 L12:   7.0784                                     
REMARK   3      L13:  -0.4871 L23:   2.8137                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.9275 S12:   1.8249 S13:  -0.3756                       
REMARK   3      S21:  -1.3392 S22:   0.7064 S23:  -0.2802                       
REMARK   3      S31:  -0.1462 S32:  -0.1516 S33:   0.2212                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   186        A   197                          
REMARK   3    ORIGIN FOR THE GROUP (A):   5.2590 -34.8340  13.1960              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0611 T22:  -0.0688                                     
REMARK   3      T33:  -0.0813 T12:  -0.0007                                     
REMARK   3      T13:   0.0080 T23:  -0.0028                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0423 L22:   1.5780                                     
REMARK   3      L33:   7.7878 L12:   1.1645                                     
REMARK   3      L13:   0.7193 L23:   2.4773                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0022 S12:   0.1852 S13:  -0.0179                       
REMARK   3      S21:  -0.1522 S22:  -0.1107 S23:   0.0269                       
REMARK   3      S31:   0.2489 S32:  -0.1075 S33:   0.1129                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   198        A   210                          
REMARK   3    ORIGIN FOR THE GROUP (A):  12.0400 -31.5340  28.7410              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0972 T22:  -0.0974                                     
REMARK   3      T33:  -0.0979 T12:  -0.0200                                     
REMARK   3      T13:   0.0048 T23:   0.0034                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.3491 L22:   2.5704                                     
REMARK   3      L33:   3.9295 L12:   1.0469                                     
REMARK   3      L13:   2.5241 L23:   1.5938                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0040 S12:  -0.1322 S13:   0.0714                       
REMARK   3      S21:   0.1749 S22:  -0.0261 S23:   0.0646                       
REMARK   3      S31:   0.0538 S32:   0.0328 S33:   0.0302                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   211        A   232                          
REMARK   3    ORIGIN FOR THE GROUP (A):  10.6140 -16.2870  28.5630              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0002 T22:  -0.0718                                     
REMARK   3      T33:  -0.0230 T12:  -0.0334                                     
REMARK   3      T13:   0.0055 T23:  -0.0049                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6332 L22:   1.3571                                     
REMARK   3      L33:   2.2283 L12:  -0.3347                                     
REMARK   3      L13:  -0.8259 L23:   0.6941                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0139 S12:  -0.1548 S13:   0.2453                       
REMARK   3      S21:   0.0944 S22:  -0.0001 S23:  -0.0453                       
REMARK   3      S31:  -0.2043 S32:   0.1630 S33:  -0.0139                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   233        A   248                          
REMARK   3    ORIGIN FOR THE GROUP (A):  19.2480 -22.6700  16.6920              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0190 T22:  -0.0021                                     
REMARK   3      T33:  -0.0407 T12:  -0.0511                                     
REMARK   3      T13:   0.0376 T23:   0.0258                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1957 L22:   2.9283                                     
REMARK   3      L33:   6.3176 L12:  -0.7363                                     
REMARK   3      L13:  -1.2545 L23:   3.4620                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0106 S12:   0.1223 S13:   0.1422                       
REMARK   3      S21:  -0.3424 S22:   0.0628 S23:  -0.1981                       
REMARK   3      S31:  -0.2987 S32:   0.3243 S33:  -0.0734                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   249        A   254                          
REMARK   3    ORIGIN FOR THE GROUP (A):  23.0670 -29.6330   3.7490              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1332 T22:   0.2353                                     
REMARK   3      T33:   0.0723 T12:  -0.0600                                     
REMARK   3      T13:   0.1306 T23:  -0.0183                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  29.1347 L22:  15.9691                                     
REMARK   3      L33:  26.3279 L12:   4.5791                                     
REMARK   3      L13:   3.5176 L23:  -6.3769                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6827 S12:   1.4805 S13:   0.4427                       
REMARK   3      S21:  -0.7471 S22:   0.5361 S23:  -0.0241                       
REMARK   3      S31:  -0.9542 S32:   0.6121 S33:   0.1467                       
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   : 1.40                                          
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 3GD8 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-MAR-09.                  
REMARK 100 THE DEPOSITION ID IS D_1000051714.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 01-JAN-08                          
REMARK 200  TEMPERATURE           (KELVIN) : 77                                 
REMARK 200  PH                             : 6                                  
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ALS                                
REMARK 200  BEAMLINE                       : 8.3.1                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.11                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 23583                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.600                              
REMARK 200  RESOLUTION RANGE LOW       (A) : NULL                               
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL                               
REMARK 200  DATA REDUNDANCY                : 12.00                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 54.97                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.73                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 25% PEG-2K-MME, 50MM CITRATE, PH 6.0,    
REMARK 280  40MM OG, 5% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE    
REMARK 280  298K                                                                
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 4 21 2                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -Y+1/2,X+1/2,Z                                          
REMARK 290       4555   Y+1/2,-X+1/2,Z                                          
REMARK 290       5555   -X+1/2,Y+1/2,-Z                                         
REMARK 290       6555   X+1/2,-Y+1/2,-Z                                         
REMARK 290       7555   Y,X,-Z                                                  
REMARK 290       8555   -Y,-X,-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        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       41.02900            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       41.02900            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       41.02900            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       41.02900            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       41.02900            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       41.02900            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       41.02900            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       41.02900            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  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 300 REMARK: TETRAMER IS GENERATED BY THE 4 FOLD AXIS.                    
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: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 19000 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 28730 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -134.0 KCAL/MOL                       
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   BIOMT1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   2  0.000000 -1.000000  0.000000      -82.05800            
REMARK 350   BIOMT3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   3  0.000000 -1.000000  0.000000      -41.02900            
REMARK 350   BIOMT2   3  1.000000  0.000000  0.000000      -41.02900            
REMARK 350   BIOMT3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   4  0.000000  1.000000  0.000000       41.02900            
REMARK 350   BIOMT2   4 -1.000000  0.000000  0.000000      -41.02900            
REMARK 350   BIOMT3   4  0.000000  0.000000  1.000000        0.00000            
REMARK 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375      HOH A  18  LIES ON A SPECIAL POSITION.                          
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  97      111.83   -175.99                                   
REMARK 500    ASN A  97      111.83   -175.57                                   
REMARK 500    MET A 212        9.27     58.79                                   
REMARK 500    MET A 212       11.36     56.68                                   
REMARK 500    ASN A 213      100.07   -164.40                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1070S   RELATED DB: TARGETDB                             
DBREF  3GD8 A   32   254  UNP    P55087   AQP4_HUMAN      32    254             
SEQRES   1 A  223  GLN ALA PHE TRP LYS ALA VAL THR ALA GLU PHE LEU ALA          
SEQRES   2 A  223  MET LEU ILE PHE VAL LEU LEU SER LEU GLY SER THR ILE          
SEQRES   3 A  223  ASN TRP GLY GLY THR GLU LYS PRO LEU PRO VAL ASP MET          
SEQRES   4 A  223  VAL LEU ILE SER LEU CYS PHE GLY LEU SER ILE ALA THR          
SEQRES   5 A  223  MET VAL GLN CYS PHE GLY HIS ILE SER GLY GLY HIS ILE          
SEQRES   6 A  223  ASN PRO ALA VAL THR VAL ALA MET VAL CYS THR ARG LYS          
SEQRES   7 A  223  ILE SER ILE ALA LYS SER VAL PHE TYR ILE ALA ALA GLN          
SEQRES   8 A  223  CYS LEU GLY ALA ILE ILE GLY ALA GLY ILE LEU TYR LEU          
SEQRES   9 A  223  VAL THR PRO PRO SER VAL VAL GLY GLY LEU GLY VAL THR          
SEQRES  10 A  223  MET VAL HIS GLY ASN LEU THR ALA GLY HIS GLY LEU LEU          
SEQRES  11 A  223  VAL GLU LEU ILE ILE THR PHE GLN LEU VAL PHE THR ILE          
SEQRES  12 A  223  PHE ALA SER CYS ASP SER LYS ARG THR ASP VAL THR GLY          
SEQRES  13 A  223  SER ILE ALA LEU ALA ILE GLY PHE SER VAL ALA ILE GLY          
SEQRES  14 A  223  HIS LEU PHE ALA ILE ASN TYR THR GLY ALA SER MET ASN          
SEQRES  15 A  223  PRO ALA ARG SER PHE GLY PRO ALA VAL ILE MET GLY ASN          
SEQRES  16 A  223  TRP GLU ASN HIS TRP ILE TYR TRP VAL GLY PRO ILE ILE          
SEQRES  17 A  223  GLY ALA VAL LEU ALA GLY GLY LEU TYR GLU TYR VAL PHE          
SEQRES  18 A  223  CYS PRO                                                      
HET    GOL  A   1       6                                                       
HET    GOL  A   2       6                                                       
HET    GOL  A   3       6                                                       
HET    GOL  A   4       6                                                       
HET    GOL  A   6       6                                                       
HET    BOG  A 473      20                                                       
HETNAM     GOL GLYCEROL                                                         
HETNAM     BOG OCTYL BETA-D-GLUCOPYRANOSIDE                                     
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   2  GOL    5(C3 H8 O3)                                                  
FORMUL   7  BOG    C14 H28 O6                                                   
FORMUL   8  HOH   *62(H2 O)                                                     
HELIX    1   1 GLN A   32  THR A   56  1                                  25    
HELIX    2   2 ASP A   69  GLY A   93  1                                  25    
HELIX    3   3 ASN A   97  THR A  107  1                                  11    
HELIX    4   4 SER A  111  THR A  137  1                                  27    
HELIX    5   5 PRO A  138  GLY A  143  1                                   6    
HELIX    6   6 THR A  155  CYS A  178  1                                  24    
HELIX    7   7 SER A  188  GLY A  209  1                                  22    
HELIX    8   8 ASN A  213  GLY A  225  1                                  13    
HELIX    9   9 TRP A  231  VAL A  251  1                                  21    
CRYST1   82.058   82.058   76.353  90.00  90.00  90.00 P 4 21 2      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      0.012187  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.012187  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.013097        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system