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Database: PDB
Entry: 4HTJ
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Original site: 4HTJ 
HEADER    HYDROLASE                               01-NOV-12   4HTJ              
TITLE     CRYSTALLOGRAPHIC STRUCTURE OF THE MEMBRANE-PROXIMAL ECTODOMAIN OF THE 
TITLE    2 HUMAN RECEPTOR-TYPE PROTEIN-TYROSINE PHOSPHATASE PHOGRIN AT PH 4.6   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE N2;             
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: SEQUENCE DATABASE RESIDUES 502 - 599;                      
COMPND   5 SYNONYM: R-PTP-N2, ISLET CELL AUTOANTIGEN-RELATED PROTEIN, IAR,      
COMPND   6 ICAAR, PHOGRIN;                                                      
COMPND   7 EC: 3.1.3.48;                                                        
COMPND   8 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: PTPRN2, KIAA0387;                                              
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    PHOGRIN, IA-2BETA, PROTEIN-TYROSINE PHOSPHATASE, TRANSMEMBRANE        
KEYWDS   2 PROTEIN, DIABETES, AUTOIMMUNITY, GLYCOPROTEIN, RECEPTOR, HYDROLASE,  
KEYWDS   3 FERREDOXIN-LIKE FOLD                                                 
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    M.E.NOGUERA,J.JAKONCIC,E.POSKUS,M.R.ERMACORA                          
REVDAT   7   15-NOV-17 4HTJ    1       REMARK                                   
REVDAT   6   18-MAR-15 4HTJ    1       JRNL                                     
REVDAT   5   24-JUL-13 4HTJ    1       JRNL                                     
REVDAT   4   20-MAR-13 4HTJ    1       JRNL                                     
REVDAT   3   30-JAN-13 4HTJ    1       JRNL                                     
REVDAT   2   19-DEC-12 4HTJ    1       JRNL                                     
REVDAT   1   28-NOV-12 4HTJ    0                                                
JRNL        AUTH   M.E.NOGUERA,M.E.PRIMO,J.JAKONCIC,E.POSKUS,M.SOLIMENA,        
JRNL        AUTH 2 M.R.ERMACORA                                                 
JRNL        TITL   X-RAY STRUCTURE OF THE MATURE ECTODOMAIN OF PHOGRIN.         
JRNL        REF    J.STRUCT.FUNCT.GENOM.         V.  16     1 2015              
JRNL        REFN                   ISSN 1345-711X                               
JRNL        PMID   25421040                                                     
JRNL        DOI    10.1007/S10969-014-9191-0                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.01 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.6.0117                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.01                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 18.40                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 9206                           
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) : 0.204                           
REMARK   3   R VALUE            (WORKING SET) : 0.203                           
REMARK   3   FREE R VALUE                     : 0.238                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.800                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 440                             
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.01                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.06                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 621                          
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 98.48                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2770                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 27                           
REMARK   3   BIN FREE R VALUE                    : 0.2730                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 676                                     
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 34                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 46.78                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -0.23000                                             
REMARK   3    B22 (A**2) : -0.23000                                             
REMARK   3    B33 (A**2) : 0.34000                                              
REMARK   3    B12 (A**2) : -0.11000                                             
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): 0.146         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.140         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): NULL          
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL          
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.956                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.932                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):   692 ; 0.019 ; 0.019       
REMARK   3   BOND LENGTHS OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):   939 ; 2.000 ; 1.989       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):    90 ; 6.144 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):    31 ;32.522 ;25.161       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   125 ;16.130 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):     6 ;16.078 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   114 ; 0.125 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):   516 ; 0.010 ; 0.021       
REMARK   3   GENERAL PLANES OTHERS             (A):  NULL ;  NULL ;  NULL       
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 : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 14                                         
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   510        A   515                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -9.5080 -25.8540  -6.1550              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4371 T22:   0.3892                                     
REMARK   3      T33:   0.1145 T12:  -0.0029                                     
REMARK   3      T13:   0.0070 T23:   0.0264                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  14.2230 L22:   1.1900                                     
REMARK   3      L33:   7.9534 L12:   4.0901                                     
REMARK   3      L13:   2.6733 L23:   0.4624                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0485 S12:  -0.0824 S13:  -0.6005                       
REMARK   3      S21:   0.0042 S22:  -0.0473 S23:  -0.1747                       
REMARK   3      S31:   0.5122 S32:   0.1201 S33:  -0.0011                       
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   516        A   520                          
REMARK   3    ORIGIN FOR THE GROUP (A): -13.4960 -13.2080 -12.0910              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4298 T22:   0.3351                                     
REMARK   3      T33:   0.1558 T12:  -0.0127                                     
REMARK   3      T13:  -0.0665 T23:   0.0317                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.9144 L22:   6.5098                                     
REMARK   3      L33:  17.3176 L12:  -2.6287                                     
REMARK   3      L13:   1.4619 L23:  -3.7864                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2579 S12:   0.0298 S13:   0.6378                       
REMARK   3      S21:   0.0846 S22:  -0.4600 S23:  -0.1423                       
REMARK   3      S31:  -0.9464 S32:   0.2796 S33:   0.7180                       
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   521        A   525                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.2590 -12.6440 -12.3190              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5086 T22:   0.3889                                     
REMARK   3      T33:   0.2031 T12:  -0.0710                                     
REMARK   3      T13:  -0.0723 T23:   0.1629                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  50.4701 L22:   0.9079                                     
REMARK   3      L33:  46.2507 L12:   4.1808                                     
REMARK   3      L13:  10.4355 L23:   5.8390                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6931 S12:   2.1697 S13:   2.0061                       
REMARK   3      S21:  -0.2873 S22:   0.3209 S23:   0.1641                       
REMARK   3      S31:  -2.2493 S32:   1.6291 S33:   0.3722                       
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   526        A   532                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -2.7500 -14.6870  -3.4380              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3919 T22:   0.4454                                     
REMARK   3      T33:   0.2105 T12:   0.0345                                     
REMARK   3      T13:  -0.1152 T23:  -0.0511                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.1456 L22:   5.4407                                     
REMARK   3      L33:  31.2516 L12:  -1.0880                                     
REMARK   3      L13:  -0.7751 L23:   7.3987                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0116 S12:   0.2073 S13:   0.3611                       
REMARK   3      S21:   0.1911 S22:   0.4013 S23:  -0.5282                       
REMARK   3      S31:   0.1001 S32:   1.6727 S33:  -0.4130                       
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   533        A   539                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -2.0210 -17.9240   6.1400              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4451 T22:   0.4596                                     
REMARK   3      T33:   0.3073 T12:   0.0328                                     
REMARK   3      T13:  -0.1658 T23:  -0.1199                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  23.5626 L22:  16.4248                                     
REMARK   3      L33:  29.2804 L12: -18.9636                                     
REMARK   3      L13:  17.2355 L23: -10.0580                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2660 S12:  -0.6130 S13:  -0.0175                       
REMARK   3      S21:   0.0323 S22:   0.2092 S23:   0.2976                       
REMARK   3      S31:  -0.1704 S32:  -0.6300 S33:   0.0568                       
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   540        A   545                          
REMARK   3    ORIGIN FOR THE GROUP (A):   3.0040 -22.1630  -0.4350              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3701 T22:   0.3870                                     
REMARK   3      T33:   0.1244 T12:  -0.0225                                     
REMARK   3      T13:  -0.0277 T23:   0.0355                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  32.7426 L22:  17.2444                                     
REMARK   3      L33:  20.5550 L12:  -2.5232                                     
REMARK   3      L13:  14.6338 L23:  14.3284                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0975 S12:   0.0788 S13:   0.6886                       
REMARK   3      S21:  -0.2773 S22:   0.1580 S23:  -0.4716                       
REMARK   3      S31:  -0.3062 S32:   0.1596 S33:  -0.0605                       
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   546        A   551                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.0170 -22.3680 -11.9670              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3089 T22:   0.3775                                     
REMARK   3      T33:   0.0878 T12:   0.0145                                     
REMARK   3      T13:  -0.0027 T23:   0.0031                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  29.7294 L22:   8.1348                                     
REMARK   3      L33:  20.8417 L12:  -5.7604                                     
REMARK   3      L13:  19.0886 L23:  -3.5642                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.7332 S12:   0.8908 S13:  -1.3671                       
REMARK   3      S21:  -0.0228 S22:   0.0999 S23:   0.0391                       
REMARK   3      S31:   0.5503 S32:   1.0641 S33:  -0.8332                       
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   552        A   558                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.7320 -24.0120  -6.8070              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3786 T22:   0.3577                                     
REMARK   3      T33:   0.1177 T12:  -0.0117                                     
REMARK   3      T13:  -0.0347 T23:  -0.0026                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  24.9139 L22:   2.3595                                     
REMARK   3      L33:  11.5508 L12:  -7.2275                                     
REMARK   3      L13:  14.4844 L23:  -3.3083                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4666 S12:  -0.0541 S13:  -0.3068                       
REMARK   3      S21:  -0.0683 S22:   0.0000 S23:   0.0245                       
REMARK   3      S31:   0.3997 S32:  -0.1371 S33:  -0.4667                       
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   559        A   566                          
REMARK   3    ORIGIN FOR THE GROUP (A):   1.6070 -28.2390   6.5860              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3292 T22:   0.3220                                     
REMARK   3      T33:   0.1094 T12:   0.0035                                     
REMARK   3      T13:  -0.0141 T23:   0.0863                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  14.8247 L22:  12.3141                                     
REMARK   3      L33:  16.8799 L12:  -5.1087                                     
REMARK   3      L13:  -0.8447 L23:   5.0128                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1375 S12:  -0.4131 S13:  -1.0470                       
REMARK   3      S21:   0.3915 S22:   0.3698 S23:   0.5505                       
REMARK   3      S31:   0.3822 S32:  -0.1486 S33:  -0.2324                       
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   567        A   571                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.3500 -27.6750   2.9460              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5842 T22:   0.5915                                     
REMARK   3      T33:   0.3380 T12:  -0.1733                                     
REMARK   3      T13:   0.0788 T23:  -0.1075                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  49.1328 L22:   1.2653                                     
REMARK   3      L33:  48.6773 L12:   3.8994                                     
REMARK   3      L13:  27.3409 L23:  -3.4760                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3238 S12:   0.1491 S13:  -2.6538                       
REMARK   3      S21:  -0.3829 S22:   0.3497 S23:  -0.3583                       
REMARK   3      S31:   2.5441 S32:  -1.6981 S33:  -0.6734                       
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   572        A   577                          
REMARK   3    ORIGIN FOR THE GROUP (A): -12.5430 -21.2280   5.9960              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5698 T22:   0.8466                                     
REMARK   3      T33:   0.1335 T12:   0.1470                                     
REMARK   3      T13:   0.0036 T23:   0.0145                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  15.8226 L22:  23.7088                                     
REMARK   3      L33:  14.8799 L12:  -1.4835                                     
REMARK   3      L13:   1.9357 L23:  18.3835                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2471 S12:  -1.3882 S13:  -0.8242                       
REMARK   3      S21:   1.2787 S22:   0.1968 S23:   0.2425                       
REMARK   3      S31:   0.8849 S32:  -0.2065 S33:   0.0503                       
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   578        A   583                          
REMARK   3    ORIGIN FOR THE GROUP (A): -13.4570 -11.9350   3.3720              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4012 T22:   0.5420                                     
REMARK   3      T33:   0.0779 T12:   0.1542                                     
REMARK   3      T13:  -0.0421 T23:  -0.1848                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  23.2142 L22:  16.0959                                     
REMARK   3      L33:  28.9032 L12:  -1.7987                                     
REMARK   3      L13:   7.4155 L23:  -5.3239                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.7194 S12:  -2.3663 S13:   0.8739                       
REMARK   3      S21:   1.3137 S22:   0.3285 S23:   0.1923                       
REMARK   3      S31:  -0.9327 S32:  -1.1190 S33:   0.3908                       
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   584        A   589                          
REMARK   3    ORIGIN FOR THE GROUP (A): -12.9750 -11.3610  -2.6860              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6152 T22:   0.3789                                     
REMARK   3      T33:   0.1186 T12:   0.0533                                     
REMARK   3      T13:  -0.1150 T23:  -0.0978                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  23.0280 L22:  16.8209                                     
REMARK   3      L33:   9.0275 L12:  -2.3793                                     
REMARK   3      L13:   8.2708 L23:   5.8326                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6155 S12:  -0.8259 S13:   1.0678                       
REMARK   3      S21:   0.1323 S22:  -0.0224 S23:  -0.0364                       
REMARK   3      S31:  -0.8497 S32:  -0.5997 S33:   0.6380                       
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   590        A   598                          
REMARK   3    ORIGIN FOR THE GROUP (A): -13.0940 -29.2490  -6.5830              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3875 T22:   0.3970                                     
REMARK   3      T33:   0.0863 T12:  -0.0055                                     
REMARK   3      T13:   0.0300 T23:  -0.0167                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7411 L22:  17.6570                                     
REMARK   3      L33:   5.3084 L12:  -6.1515                                     
REMARK   3      L13:  -0.1926 L23:   0.6928                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0878 S12:   0.3394 S13:  -0.1033                       
REMARK   3      S21:   0.5050 S22:  -0.3977 S23:  -0.0272                       
REMARK   3      S31:   0.6024 S32:   0.0377 S33:   0.3099                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : 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 U VALUES : WITH TLS ADDED                                 
REMARK   4                                                                      
REMARK   4 4HTJ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-NOV-12.                  
REMARK 100 THE DEPOSITION ID IS D_1000075901.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 16-JUN-11                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 4.6                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : NSLS                               
REMARK 200  BEAMLINE                       : X6A                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.91840                            
REMARK 200  MONOCHROMATOR                  : SI(111) CHANNEL CUT                
REMARK 200  OPTICS                         : TOROIDAL FOCUSING MIRROR           
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 270                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO, HKL-2000                    
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 9208                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.000                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 20.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 2.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 95.4                               
REMARK 200  DATA REDUNDANCY                : 12.50                              
REMARK 200  R MERGE                    (I) : 0.06300                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 13.7000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.03                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 61.9                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 9.70                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.79100                            
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: MOLREP                                                
REMARK 200 STARTING MODEL: PDB ENTRY 2QT7                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 58.72                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.98                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M AMMONIUM SULFATE, 0.1 M SODIUM     
REMARK 280  ACETATE TRIHYDRATE PH 4.6, 25 % W/V POLYETHYLENE GLYCOL 4000,       
REMARK 280  VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 61 2 2                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+1/3                                            
REMARK 290       3555   -X+Y,-X,Z+2/3                                           
REMARK 290       4555   -X,-Y,Z+1/2                                             
REMARK 290       5555   Y,-X+Y,Z+5/6                                            
REMARK 290       6555   X-Y,X,Z+1/6                                             
REMARK 290       7555   Y,X,-Z+1/3                                              
REMARK 290       8555   X-Y,-Y,-Z                                               
REMARK 290       9555   -X,-X+Y,-Z+2/3                                          
REMARK 290      10555   -Y,-X,-Z+5/6                                            
REMARK 290      11555   -X+Y,Y,-Z+1/2                                           
REMARK 290      12555   X,X-Y,-Z+1/6                                            
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 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       49.71567            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       99.43133            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       74.57350            
REMARK 290   SMTRY1   5  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   5 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000      124.28917            
REMARK 290   SMTRY1   6  0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       24.85783            
REMARK 290   SMTRY1   7 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   7  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       49.71567            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   9 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   9 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   9  0.000000  0.000000 -1.000000       99.43133            
REMARK 290   SMTRY1  10  0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  10 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3  10  0.000000  0.000000 -1.000000      124.28917            
REMARK 290   SMTRY1  11 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  11  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  11  0.000000  0.000000 -1.000000       74.57350            
REMARK 290   SMTRY1  12  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  12  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3  12  0.000000  0.000000 -1.000000       24.85783            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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 624  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH A 626  LIES ON A SPECIAL POSITION.                          
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A   501                                                      
REMARK 465     GLU A   502                                                      
REMARK 465     VAL A   503                                                      
REMARK 465     GLN A   504                                                      
REMARK 465     PRO A   505                                                      
REMARK 465     SER A   506                                                      
REMARK 465     GLU A   507                                                      
REMARK 465     GLU A   508                                                      
REMARK 465     GLU A   509                                                      
REMARK 465     LYS A   599                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    ARG A 535   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.0 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  4HTJ A  501   599  UNP    Q92932   PTPR2_HUMAN    501    599             
SEQADV 4HTJ MET A  501  UNP  Q92932    LEU   501 CONFLICT                       
SEQRES   1 A   99  MET GLU VAL GLN PRO SER GLU GLU GLU ALA ARG GLY TYR          
SEQRES   2 A   99  ILE VAL THR ASP ARG ASP PRO LEU ARG PRO GLU GLU GLY          
SEQRES   3 A   99  ARG ARG LEU VAL GLU ASP VAL ALA ARG LEU LEU GLN VAL          
SEQRES   4 A   99  PRO SER SER ALA PHE ALA ASP VAL GLU VAL LEU GLY PRO          
SEQRES   5 A   99  ALA VAL THR PHE LYS VAL SER ALA ASN VAL GLN ASN VAL          
SEQRES   6 A   99  THR THR GLU ASP VAL GLU LYS ALA THR VAL ASP ASN LYS          
SEQRES   7 A   99  ASP LYS LEU GLU GLU THR SER GLY LEU LYS ILE LEU GLN          
SEQRES   8 A   99  THR GLY VAL GLY SER LYS SER LYS                              
FORMUL   2  HOH   *34(H2 O)                                                     
HELIX    1   1 ARG A  522  LEU A  537  1                                  16    
HELIX    2   2 PRO A  540  SER A  542  5                                   3    
HELIX    3   3 THR A  566  ASN A  577  1                                  12    
HELIX    4   4 ASN A  577  GLY A  586  1                                  10    
SHEET    1   A 4 PHE A 544  LEU A 550  0                                        
SHEET    2   A 4 ALA A 553  VAL A 558 -1  O  THR A 555   N  GLU A 548           
SHEET    3   A 4 GLY A 512  THR A 516 -1  N  GLY A 512   O  PHE A 556           
SHEET    4   A 4 ILE A 589  VAL A 594 -1  O  LEU A 590   N  VAL A 515           
CISPEP   1 ASP A  519    PRO A  520          0        -3.67                     
CRYST1   54.742   54.742  149.147  90.00  90.00 120.00 P 61 2 2     12          
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      0.018268  0.010547  0.000000        0.00000                         
SCALE2      0.000000  0.021094  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.006705        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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