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Database: PDB
Entry: 1OC0
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Original site: 1OC0 
HEADER    HYDROLASE/INHIBITOR                     03-FEB-03   1OC0              
TITLE     PLASMINOGEN ACTIVATOR INHIBITOR-1 COMPLEX WITH SOMATOMEDIN            
TITLE    2 B DOMAIN OF VITRONECTIN                                              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PLASMINOGEN ACTIVATOR INHIBITOR-1;                         
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: ENDOTHELIAL PLASMINOGEN ACTIVATOR INHIBITOR,                
COMPND   5  PAI-1, PAI;                                                         
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MUTATION: YES;                                                       
COMPND   8 MOL_ID: 2;                                                           
COMPND   9 MOLECULE: VITRONECTIN;                                               
COMPND  10 CHAIN: B;                                                            
COMPND  11 FRAGMENT: SOMATOMEDIN B, RESIDUES 20-70;                             
COMPND  12 SYNONYM: SERUM SPREADING FACTOR, S-PROTEIN, S75;                     
COMPND  13 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 TISSUE: BLOOD;                                                       
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET-11C;                                   
SOURCE  10 MOL_ID: 2;                                                           
SOURCE  11 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  12 ORGANISM_COMMON: HUMAN;                                              
SOURCE  13 ORGANISM_TAXID: 9606;                                                
SOURCE  14 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  15 EXPRESSION_SYSTEM_STRAIN: AD494(DE3);                                
SOURCE  16 EXPRESSION_SYSTEM_VECTOR: PGEX-4T2;                                  
SOURCE  17 OTHER_DETAILS: OBTAINED BY CNBR CLEAVAGE OF FUSION PROTEIN           
KEYWDS    HYDROLASE/INHIBITOR, SERINE PROTEASE INHIBITOR/COMPLEX,               
KEYWDS   2 SERPIN, PROTEINASE INHIBITOR, FIBRINOLYSIS, CELL                     
KEYWDS   3 MIGRATION, PLASMINOGEN ACTIVATION, HEPARIN-BINDING, CELL             
KEYWDS   4 ADHESION                                                             
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    R.J.READ,A.ZHOU,J.A.HUNTINGTON,N.S.PANNU,R.W.CARRELL                  
REVDAT   3   24-FEB-09 1OC0    1       VERSN                                    
REVDAT   2   04-JUL-03 1OC0    1       JRNL                                     
REVDAT   1   19-JUN-03 1OC0    0                                                
JRNL        AUTH   A.ZHOU,J.A.HUNTINGTON,N.S.PANNU,R.W.CARRELL,                 
JRNL        AUTH 2 R.J.READ                                                     
JRNL        TITL   HOW VITRONECTIN BINDS PAI-1 TO MODULATE                      
JRNL        TITL 2 FIBRINOLYSIS AND CELL MIGRATION                              
JRNL        REF    NAT.STRUCT.BIOL.              V.  10   541 2003              
JRNL        REFN                   ISSN 1072-8368                               
JRNL        PMID   12808446                                                     
JRNL        DOI    10.1038/NSB943                                               
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.28 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC                                               
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.28                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 45.0                           
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.95                          
REMARK   3   NUMBER OF REFLECTIONS             : 20251                          
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) : 0.198                           
REMARK   3   R VALUE            (WORKING SET) : 0.196                           
REMARK   3   FREE R VALUE                     : 0.252                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.9                             
REMARK   3   FREE R VALUE TEST SET COUNT      : 989                             
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 3187                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 137                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 45.806                         
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 27.2                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 1.01                                                 
REMARK   3    B22 (A**2) : -0.76                                                
REMARK   3    B33 (A**2) : -0.25                                                
REMARK   3    B12 (A**2) : 0                                                    
REMARK   3    B13 (A**2) : 0                                                    
REMARK   3    B23 (A**2) : 0                                                    
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.339         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.242         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.170         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 6.866         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   DISTANCE RESTRAINTS.                    RMS    SIGMA               
REMARK   3    BOND LENGTH                     (A) : NULL  ; NULL                
REMARK   3    ANGLE DISTANCE                  (A) : NULL  ; NULL                
REMARK   3    INTRAPLANAR 1-4 DISTANCE        (A) : NULL  ; NULL                
REMARK   3    H-BOND OR METAL COORDINATION    (A) : NULL  ; NULL                
REMARK   3                                                                      
REMARK   3   PLANE RESTRAINT                  (A) : NULL  ; NULL                
REMARK   3   CHIRAL-CENTER RESTRAINT       (A**3) : NULL  ; NULL                
REMARK   3                                                                      
REMARK   3   NON-BONDED CONTACT RESTRAINTS.                                     
REMARK   3    SINGLE TORSION                  (A) : NULL  ; NULL                
REMARK   3    MULTIPLE TORSION                (A) : NULL  ; NULL                
REMARK   3    H-BOND (X...Y)                  (A) : NULL  ; NULL                
REMARK   3    H-BOND (X-H...Y)                (A) : NULL  ; NULL                
REMARK   3                                                                      
REMARK   3   CONFORMATIONAL TORSION ANGLE RESTRAINTS.                           
REMARK   3    SPECIFIED                 (DEGREES) : NULL  ; NULL                
REMARK   3    PLANAR                    (DEGREES) : NULL  ; NULL                
REMARK   3    STAGGERED                 (DEGREES) : NULL  ; NULL                
REMARK   3    TRANSVERSE                (DEGREES) : NULL  ; NULL                
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: TLS GROUPS USED FOR PAI-1 AND             
REMARK   3  SOMATOMEDIN B                                                       
REMARK   4                                                                      
REMARK   4 1OC0 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON  03-FEB-03.                 
REMARK 100 THE PDBE ID CODE IS EBI-12062.                                       
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 15-APR-02                          
REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              
REMARK 200  PH                             : 7.40                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 19-ID                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.0332                             
REMARK 200  MONOCHROMATOR                  : DOUBLE CRYSTAL SI                  
REMARK 200  OPTICS                         : FOCUSING MIRRORS                   
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : APS                                
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 20251                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.280                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 45.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY                : 12.200                             
REMARK 200  R MERGE                    (I) : 0.11200                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 7.9000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.28                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.37                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 7.00                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.73300                            
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: BEAST                                                 
REMARK 200 STARTING MODEL: PDB ENTRY 1B3K                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS  (%): 45                                         
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.3                      
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 10MM NAOAC, 50MM NACL, 2-9%              
REMARK 280  PEG12000,25% PEG400, 50MM HEPES, PH 7.4                             
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000       23.75050            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       50.08150            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       45.04350            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       50.08150            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       23.75050            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       45.04350            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY.  THE REMARK MAY ALSO PROVIDE INFORMATION ON              
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 GENERATING THE BIOMOLECULE                                           
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE:  1                                                      
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PQS                                                   
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 400                                                                      
REMARK 400 COMPOUND                                                             
REMARK 400  ENGINEERED MUTATION ASN 173 HIS, LYS 177 THR, GLN 342 LEU           
REMARK 400  AND MET 377 ILE IN CHAIN A.                                         
REMARK 400                                                                      
REMARK 400  MOL_ID 1: INHIBITOR FOR TISSUE PLASMINOGEN ACTIVATOR (TPA),         
REMARK 400   PROTEIN C AND UROKINASE. RAPID INTERACTION WITH TPA COULD          
REMARK 400   ACT AS A CONTROL POINT IN THE REGULATION OF FIBRINOLYSIS.          
REMARK 400   HIGH CONCENTRATIONS IMPLICATED IN HUMAN THROMBOEMBOLIC             
REMARK 400   DISEASE.                                                           
REMARK 400                                                                      
REMARK 400  MOL_ID 2: SOMATOMEDIN B IS A GROWTH HORMONE-DEPENDENT SERUM         
REMARK 400   FACTOR THAT DISPLAYS PROTEASE-INHIBITING ACTIVITY.                 
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     VAL A     1                                                      
REMARK 465     HIS A     2                                                      
REMARK 465     HIS A     3                                                      
REMARK 465     PRO A     4                                                      
REMARK 465     PRO A     5                                                      
REMARK 465     SER A   338                                                      
REMARK 465     THR A   339                                                      
REMARK 465     ALA A   340                                                      
REMARK 465     VAL A   341                                                      
REMARK 465     ILE A   342                                                      
REMARK 465     VAL A   343                                                      
REMARK 465     SER A   344                                                      
REMARK 465     ALA A   345                                                      
REMARK 465     ARG A   346                                                      
REMARK 465     MET A   347                                                      
REMARK 465     ASP B     1                                                      
REMARK 465     GLN B     2                                                      
REMARK 465     LYS B    40                                                      
REMARK 465     PRO B    41                                                      
REMARK 465     GLN B    42                                                      
REMARK 465     VAL B    43                                                      
REMARK 465     THR B    44                                                      
REMARK 465     ARG B    45                                                      
REMARK 465     GLY B    46                                                      
REMARK 465     ASP B    47                                                      
REMARK 465     VAL B    48                                                      
REMARK 465     PHE B    49                                                      
REMARK 465     THR B    50                                                      
REMARK 465     MET B    51                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O    SER A   149  -  O    HOH A  2050              2.12            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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    ASP A  29   CB  -  CG  -  OD2 ANGL. DEV. =   5.8 DEGREES          
REMARK 500    ASP A 125   CB  -  CG  -  OD2 ANGL. DEV. =   5.9 DEGREES          
REMARK 500    ASP A 193   CB  -  CG  -  OD2 ANGL. DEV. =   6.2 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500 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    LYS A  28     -130.61     66.02                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1A7C   RELATED DB: PDB                                   
REMARK 900  HUMAN PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1                        
REMARK 900  IN COMPLEX WITH A PENTAPEPTIDE                                      
REMARK 900 RELATED ID: 1B3K   RELATED DB: PDB                                   
REMARK 900  PLASMINOGEN ACTIVATOR INHIBITOR-1                                   
REMARK 900 RELATED ID: 1C5G   RELATED DB: PDB                                   
REMARK 900  PLASMINOGEN ACTIVATOR INHIBITOR-1                                   
REMARK 900 RELATED ID: 1DB2   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF NATIVE PLASMINOGEN                             
REMARK 900  ACTIVATOR INHIBITOR- 1                                              
REMARK 900 RELATED ID: 1DVM   RELATED DB: PDB                                   
REMARK 900  ACTIVE FORM OF HUMAN PAI-1                                          
REMARK 900 RELATED ID: 1DVN   RELATED DB: PDB                                   
REMARK 900  LATENT FORM OF PLASMINOGEN ACTIVATOR INHIBITOR                      
REMARK 900  -1 (PAI-1)                                                          
REMARK 900 RELATED ID: 1LJ5   RELATED DB: PDB                                   
REMARK 900  1.8A RESOLUTION STRUCTURE OF LATENT                                 
REMARK 900  PLASMINOGEN ACTIVATORINHIBITOR-1(PAI-1)                             
REMARK 900 RELATED ID: 9PAI   RELATED DB: PDB                                   
REMARK 900  CLEAVED SUBSTRATE VARIANT OF PLASMINOGEN                            
REMARK 900  ACTIVATOR INHIBITOR-1                                               
DBREF  1OC0 A    1   379  UNP    P05121   PAI1_HUMAN      24    402             
DBREF  1OC0 B    1    51  UNP    P04004   VTNC_HUMAN      20     70             
SEQADV 1OC0 HIS A  150  UNP  P05121    ASN   173 ENGINEERED MUTATION            
SEQADV 1OC0 THR A  154  UNP  P05121    LYS   177 ENGINEERED MUTATION            
SEQADV 1OC0 LEU A  319  UNP  P05121    GLN   342 ENGINEERED MUTATION            
SEQADV 1OC0 ILE A  354  UNP  P05121    MET   377 ENGINEERED MUTATION            
SEQRES   1 A  379  VAL HIS HIS PRO PRO SER TYR VAL ALA HIS LEU ALA SER          
SEQRES   2 A  379  ASP PHE GLY VAL ARG VAL PHE GLN GLN VAL ALA GLN ALA          
SEQRES   3 A  379  SER LYS ASP ARG ASN VAL VAL PHE SER PRO TYR GLY VAL          
SEQRES   4 A  379  ALA SER VAL LEU ALA MET LEU GLN LEU THR THR GLY GLY          
SEQRES   5 A  379  GLU THR GLN GLN GLN ILE GLN ALA ALA MET GLY PHE LYS          
SEQRES   6 A  379  ILE ASP ASP LYS GLY MET ALA PRO ALA LEU ARG HIS LEU          
SEQRES   7 A  379  TYR LYS GLU LEU MET GLY PRO TRP ASN LYS ASP GLU ILE          
SEQRES   8 A  379  SER THR THR ASP ALA ILE PHE VAL GLN ARG ASP LEU LYS          
SEQRES   9 A  379  LEU VAL GLN GLY PHE MET PRO HIS PHE PHE ARG LEU PHE          
SEQRES  10 A  379  ARG SER THR VAL LYS GLN VAL ASP PHE SER GLU VAL GLU          
SEQRES  11 A  379  ARG ALA ARG PHE ILE ILE ASN ASP TRP VAL LYS THR HIS          
SEQRES  12 A  379  THR LYS GLY MET ILE SER HIS LEU LEU GLY THR GLY ALA          
SEQRES  13 A  379  VAL ASP GLN LEU THR ARG LEU VAL LEU VAL ASN ALA LEU          
SEQRES  14 A  379  TYR PHE ASN GLY GLN TRP LYS THR PRO PHE PRO ASP SER          
SEQRES  15 A  379  SER THR HIS ARG ARG LEU PHE HIS LYS SER ASP GLY SER          
SEQRES  16 A  379  THR VAL SER VAL PRO MET MET ALA GLN THR ASN LYS PHE          
SEQRES  17 A  379  ASN TYR THR GLU PHE THR THR PRO ASP GLY HIS TYR TYR          
SEQRES  18 A  379  ASP ILE LEU GLU LEU PRO TYR HIS GLY ASP THR LEU SER          
SEQRES  19 A  379  MET PHE ILE ALA ALA PRO TYR GLU LYS GLU VAL PRO LEU          
SEQRES  20 A  379  SER ALA LEU THR ASN ILE LEU SER ALA GLN LEU ILE SER          
SEQRES  21 A  379  HIS TRP LYS GLY ASN MET THR ARG LEU PRO ARG LEU LEU          
SEQRES  22 A  379  VAL LEU PRO LYS PHE SER LEU GLU THR GLU VAL ASP LEU          
SEQRES  23 A  379  ARG LYS PRO LEU GLU ASN LEU GLY MET THR ASP MET PHE          
SEQRES  24 A  379  ARG GLN PHE GLN ALA ASP PHE THR SER LEU SER ASP GLN          
SEQRES  25 A  379  GLU PRO LEU HIS VAL ALA LEU ALA LEU GLN LYS VAL LYS          
SEQRES  26 A  379  ILE GLU VAL ASN GLU SER GLY THR VAL ALA SER SER SER          
SEQRES  27 A  379  THR ALA VAL ILE VAL SER ALA ARG MET ALA PRO GLU GLU          
SEQRES  28 A  379  ILE ILE ILE ASP ARG PRO PHE LEU PHE VAL VAL ARG HIS          
SEQRES  29 A  379  ASN PRO THR GLY THR VAL LEU PHE MET GLY GLN VAL MET          
SEQRES  30 A  379  GLU PRO                                                      
SEQRES   1 B   51  ASP GLN GLU SER CYS LYS GLY ARG CYS THR GLU GLY PHE          
SEQRES   2 B   51  ASN VAL ASP LYS LYS CYS GLN CYS ASP GLU LEU CYS SER          
SEQRES   3 B   51  TYR TYR GLN SER CYS CYS THR ASP TYR THR ALA GLU CYS          
SEQRES   4 B   51  LYS PRO GLN VAL THR ARG GLY ASP VAL PHE THR MET              
FORMUL   3  HOH   *137(H2 O1)                                                   
HELIX    1   1 SER A    6  ALA A   26  1                                  21    
HELIX    2   2 SER A   35  THR A   50  1                                  16    
HELIX    3   3 GLY A   51  GLY A   63  1                                  13    
HELIX    4   4 GLY A   70  MET A   83  1                                  14    
HELIX    5   5 GLY A  108  ARG A  118  1                                  11    
HELIX    6   6 GLU A  128  HIS A  143  1                                  16    
HELIX    7   7 PRO A  180  THR A  184  5                                   5    
HELIX    8   8 HIS A  229  ASP A  231  5                                   3    
HELIX    9   9 LEU A  247  ASN A  252  1                                   6    
HELIX   10  10 SER A  255  HIS A  261  1                                   7    
HELIX   11  11 LEU A  286  LEU A  293  1                                   8    
HELIX   12  12 THR A  296  ARG A  300  5                                   5    
HELIX   13  13 LEU B   24  GLN B   29  5                                   6    
HELIX   14  14 ASP B   34  CYS B   39  1                                   6    
SHEET    1  AA 6 VAL A  32  PHE A  34  0                                        
SHEET    2  AA 6 VAL A 370  VAL A 376 -1  O  MET A 373   N  PHE A  34           
SHEET    3  AA 6 PHE A 358  HIS A 364 -1  O  PHE A 358   N  VAL A 376           
SHEET    4  AA 6 LEU A 233  PRO A 240 -1  O  SER A 234   N  ARG A 363           
SHEET    5  AA 6 TYR A 220  PRO A 227 -1  O  ASP A 222   N  ALA A 239           
SHEET    6  AA 6 TYR A 210  THR A 214 -1  O  THR A 211   N  ILE A 223           
SHEET    1  AB 5 LYS A 122  VAL A 124  0                                        
SHEET    2  AB 5 ILE A  91  GLN A 100  1  O  ILE A  97   N  LYS A 122           
SHEET    3  AB 5 LEU A 163  ASN A 172 -1  O  VAL A 164   N  PHE A  98           
SHEET    4  AB 5 LEU A 319  VAL A 328  1  O  LEU A 319   N  LEU A 165           
SHEET    5  AB 5 PHE A 278  ASP A 285 -1  O  PHE A 278   N  VAL A 328           
SHEET    1  AC 4 HIS A 185  HIS A 190  0                                        
SHEET    2  AC 4 THR A 196  PHE A 208 -1  O  VAL A 197   N  PHE A 189           
SHEET    3  AC 4 LEU A 269  PRO A 276 -1  O  LEU A 269   N  PHE A 208           
SHEET    4  AC 4 GLU A 351  ILE A 353  1  O  ILE A 352   N  VAL A 274           
SSBOND   1 CYS B    5    CYS B   21                          1555   1555  2.04  
SSBOND   2 CYS B    9    CYS B   39                          1555   1555  2.03  
SSBOND   3 CYS B   19    CYS B   32                          1555   1555  2.03  
SSBOND   4 CYS B   25    CYS B   31                          1555   1555  2.05  
CRYST1   47.501   90.087  100.163  90.00  90.00  90.00 P 21 21 21    4          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.021052  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.011100  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.009984        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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