PDB entry 4g8o

View 4g8o on RCSB PDB site
Description: Crystal Structure of a novel small molecule inactivator bound to plasminogen activator inhibitor-1
Class: blood clotting/inhibitor
Keywords: SERPIN, PAI-1, INHIBITOR, BLOOD CLOTTING, BLOOD CLOTTING-INHIBITOR complex
Deposited on 2012-07-23, released 2013-12-25
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-15, with a file datestamp of 2017-11-10.
Experiment type: XRAY
Resolution: 2.71 Å
R-factor: N/A
AEROSPACI score: 0.17 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Plasminogen activator inhibitor 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PAI-1, PAI1, PLANH1, SERPINE1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05121 (1-375)
      • expression tag (0)
      • engineered mutation (146)
      • engineered mutation (150)
      • engineered mutation (315)
      • engineered mutation (350)
    Domains in SCOPe 2.07: d4g8oa1, d4g8oa2
  • Chain 'B':
    Compound: Plasminogen activator inhibitor 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PAI-1, PAI1, PLANH1, SERPINE1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05121 (1-375)
      • expression tag (0)
      • engineered mutation (146)
      • engineered mutation (150)
      • engineered mutation (315)
      • engineered mutation (350)
    Domains in SCOPe 2.07: d4g8ob1, d4g8ob2
  • Chain 'C':
    Compound: Plasminogen activator inhibitor 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PAI-1, PAI1, PLANH1, SERPINE1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05121 (1-375)
      • expression tag (0)
      • engineered mutation (146)
      • engineered mutation (150)
      • engineered mutation (315)
      • engineered mutation (350)
    Domains in SCOPe 2.07: d4g8oc1, d4g8oc2
  • Chain 'D':
    Compound: Plasminogen activator inhibitor 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PAI-1, PAI1, PLANH1, SERPINE1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05121 (1-375)
      • expression tag (0)
      • engineered mutation (146)
      • engineered mutation (150)
      • engineered mutation (315)
      • engineered mutation (350)
    Domains in SCOPe 2.07: d4g8od1, d4g8od2
  • Heterogens: SO4, EDO, 96P, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4g8oA (A:)
    apsyvahlasdfgvrvfqqvaqaskdrnvvfspygvasvlamlqlttggetqqqiqaamg
    fkiddkgmapalrhlykelmgpwnkdeisttdaifvqrdlklvqgfmphffrlfrstvkq
    vdfseverarfiindwvkthtkgmishllgtgavdqltrlvlvnalyfngqwktpfpdss
    thrrlfhksdgstvsvpmmaqtnkfnytefttpdghyydilelpyhgdtlsmfiaapyek
    evplsaltnilsaqlishwkgnmtrlprllvlpkfsletevdlrkplenlgmtdmfrqfq
    adftslsdqeplhvalalqkvkievnesgtvassstavivsarmapeeiiidrpflfvvr
    hnptgtvlfmgqvmep
    

    Sequence, based on observed residues (ATOM records): (download)
    >4g8oA (A:)
    apsyvahlasdfgvrvfqqvaqaskdrnvvfspygvasvlamlqlttggetqqqiqaamg
    fkiddkgmapalrhlykelmgpwnkdeisttdaifvqrdlklvqgfmphffrlfrstvkq
    vdfseverarfiindwvkthtkgmishllgtgavdqltrlvlvnalyfngqwktpfpdss
    thrrlfhksdgstvsvpmmaqtnkfnytefttpdghyydilelpyhgdtlsmfiaapyek
    evplsaltnilsaqlishwkgnmtrlprllvlpkfsletevdlrkplenlgmtdmfrqfq
    adftslsdqeplhvalalqkvkievnespeeiiidrpflfvvrhnptgtvlfmgqvmep
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4g8oB (B:)
    apsyvahlasdfgvrvfqqvaqaskdrnvvfspygvasvlamlqlttggetqqqiqaamg
    fkiddkgmapalrhlykelmgpwnkdeisttdaifvqrdlklvqgfmphffrlfrstvkq
    vdfseverarfiindwvkthtkgmishllgtgavdqltrlvlvnalyfngqwktpfpdss
    thrrlfhksdgstvsvpmmaqtnkfnytefttpdghyydilelpyhgdtlsmfiaapyek
    evplsaltnilsaqlishwkgnmtrlprllvlpkfsletevdlrkplenlgmtdmfrqfq
    adftslsdqeplhvalalqkvkievnesgtvassstavivsarmapeeiiidrpflfvvr
    hnptgtvlfmgqvmep
    

    Sequence, based on observed residues (ATOM records): (download)
    >4g8oB (B:)
    apsyvahlasdfgvrvfqqvaqaskdrnvvfspygvasvlamlqlttggetqqqiqaamg
    fkiddkgmapalrhlykelmgpwnkdeisttdaifvqrdlklvqgfmphffrlfrstvkq
    vdfseverarfiindwvkthtkgmishllgtgavdqltrlvlvnalyfngqwktpfpdss
    thrrlfhksdgstvsvpmmaqtnkfnytefttpdghyydilelpyhgdtlsmfiaapyek
    evplsaltnilsaqlishwkgnmtrlprllvlpkfsletevdlrkplenlgmtdmfrqfq
    adftslsdqeplhvalalqkvkievnespeeiiidrpflfvvrhnptgtvlfmgqvmep
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4g8oC (C:)
    apsyvahlasdfgvrvfqqvaqaskdrnvvfspygvasvlamlqlttggetqqqiqaamg
    fkiddkgmapalrhlykelmgpwnkdeisttdaifvqrdlklvqgfmphffrlfrstvkq
    vdfseverarfiindwvkthtkgmishllgtgavdqltrlvlvnalyfngqwktpfpdss
    thrrlfhksdgstvsvpmmaqtnkfnytefttpdghyydilelpyhgdtlsmfiaapyek
    evplsaltnilsaqlishwkgnmtrlprllvlpkfsletevdlrkplenlgmtdmfrqfq
    adftslsdqeplhvalalqkvkievnesgtvassstavivsarmapeeiiidrpflfvvr
    hnptgtvlfmgqvmep
    

    Sequence, based on observed residues (ATOM records): (download)
    >4g8oC (C:)
    apsyvahlasdfgvrvfqqvaqaskdrnvvfspygvasvlamlqlttggetqqqiqaamg
    fkiddkgmapalrhlykelmgpwnkdeisttdaifvqrdlklvqgfmphffrlfrstvkq
    vdfseverarfiindwvkthtkgmishllgtgavdqltrlvlvnalyfngqwktpfpdss
    thrrlfhksdgstvsvpmmaqtnkfnytefttpdghyydilelpyhgdtlsmfiaapyek
    evplsaltnilsaqlishwkgnmtrlprllvlpkfsletevdlrkplenlgmtdmfrqfq
    adftslsdqeplhvalalqkvkievnesvivsarmapeeiiidrpflfvvrhnptgtvlf
    mgqvmep
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4g8oD (D:)
    apsyvahlasdfgvrvfqqvaqaskdrnvvfspygvasvlamlqlttggetqqqiqaamg
    fkiddkgmapalrhlykelmgpwnkdeisttdaifvqrdlklvqgfmphffrlfrstvkq
    vdfseverarfiindwvkthtkgmishllgtgavdqltrlvlvnalyfngqwktpfpdss
    thrrlfhksdgstvsvpmmaqtnkfnytefttpdghyydilelpyhgdtlsmfiaapyek
    evplsaltnilsaqlishwkgnmtrlprllvlpkfsletevdlrkplenlgmtdmfrqfq
    adftslsdqeplhvalalqkvkievnesgtvassstavivsarmapeeiiidrpflfvvr
    hnptgtvlfmgqvmep
    

    Sequence, based on observed residues (ATOM records): (download)
    >4g8oD (D:)
    apsyvahlasdfgvrvfqqvaqaskdrnvvfspygvasvlamlqlttggetqqqiqaamg
    fkiddkgmapalrhlykelmgpwnkdeisttdaifvqrdlklvqgfmphffrlfrstvkq
    vdfseverarfiindwvkthtkgmishllgtgavdqltrlvlvnalyfngqwktpfpdss
    thrrlfhksdgstvsvpmmaqtnkfnytefttpdghyydilelpyhgdtlsmfiaapyek
    evplsaltnilsaqlishwkgnmtrlprllvlpkfsletevdlrkplenlgmtdmfrqfq
    adftslsdqeplhvalalqkvkievnesvivsarmapeeiiidrpflfvvrhnptgtvlf
    mgqvmep