PDB entry 3ut3

View 3ut3 on RCSB PDB site
Description: A novel PAI-I inhibitor and its structural mechanism
Class: hydrolase inhibitor
Keywords: serpin, HYDROLASE INHIBITOR
Deposited on 2011-11-25, released 2013-02-06
The last revision prior to the SCOPe 2.06 freeze date was dated 2013-02-06, with a file datestamp of 2013-02-01.
Experiment type: XRAY
Resolution: 2.42 Å
R-factor: 0.205
AEROSPACI score: 0.33 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Plasminogen activator inhibitor 1
    Species: Homo sapiens [TaxId:9606]
    Gene: SERPINE1, PAI1, PLANH1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05121 (Start-374)
      • engineered mutation (145)
      • engineered mutation (149)
      • engineered mutation (314)
      • engineered mutation (349)
    Domains in SCOPe 2.06: d3ut3a_
  • Chain 'B':
    Compound: Plasminogen activator inhibitor 1
    Species: Homo sapiens [TaxId:9606]
    Gene: SERPINE1, PAI1, PLANH1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05121 (0-374)
      • engineered mutation (145)
      • engineered mutation (149)
      • engineered mutation (314)
      • engineered mutation (349)
    Domains in SCOPe 2.06: d3ut3b_
  • Chain 'C':
    Compound: Plasminogen activator inhibitor 1
    Species: Homo sapiens [TaxId:9606]
    Gene: SERPINE1, PAI1, PLANH1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05121 (Start-374)
      • engineered mutation (145)
      • engineered mutation (149)
      • engineered mutation (314)
      • engineered mutation (349)
    Domains in SCOPe 2.06: d3ut3c_
  • Chain 'D':
    Compound: Plasminogen activator inhibitor 1
    Species: Homo sapiens [TaxId:9606]
    Gene: SERPINE1, PAI1, PLANH1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05121 (0-374)
      • engineered mutation (145)
      • engineered mutation (149)
      • engineered mutation (314)
      • engineered mutation (349)
    Domains in SCOPe 2.06: d3ut3d_
  • Heterogens: EMJ

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3ut3A (A:)
    psyvahlasdfgvrvfqqvaqaskdrnvvfspygvasvlamlqlttggetqqqiqaamgf
    kiddkgmapalrhlykelmgpwnkdeisttdaifvqrdlklvqgfmphffrlfrstvkqv
    dfseverarfiindwvkthtkgmishllgtgavdqltrlvlvnalyfngqwktpfpdsst
    hrrlfhksdgstvsvpmmaqtnkfnytefttpdghyydilelpyhgdtlsmfiaapyeke
    vplsaltnilsaqlishwkgnmtrlprllvlpkfsletevdlrkplenlgmtdmfrqfqa
    dftslsdqeplhvalalqkvkievnesgtvassstavivsarmapeeiiidrpflfvvrh
    nptgtvlfmgqvmep
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ut3A (A:)
    yvahlasdfgvrvfqqvaqaskdrnvvfspygvasvlamlqlttggetqqqiqaamgfki
    ddkgmapalrhlykelmgpwnkdeisttdaifvqrdlklvqgfmphffrlfrstvkqvdf
    severarfiindwvkthtkgmishllgtgavdqltrlvlvnalyfngqwktpfpdssthr
    rlfhksdgstvsvpmmaqtnkfnytefttpdghyydilelpyhgdtlsmfiaapyekevp
    lsaltnilsaqlishwkgnmtrlprllvlpkfsletevdlrkplenlgmtdmfrqfqadf
    tslsdqeplhvalalqkvkievnesgtavivsarmapeeiiidrpflfvvrhnptgtvlf
    mgqvmep
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3ut3B (B:)
    psyvahlasdfgvrvfqqvaqaskdrnvvfspygvasvlamlqlttggetqqqiqaamgf
    kiddkgmapalrhlykelmgpwnkdeisttdaifvqrdlklvqgfmphffrlfrstvkqv
    dfseverarfiindwvkthtkgmishllgtgavdqltrlvlvnalyfngqwktpfpdsst
    hrrlfhksdgstvsvpmmaqtnkfnytefttpdghyydilelpyhgdtlsmfiaapyeke
    vplsaltnilsaqlishwkgnmtrlprllvlpkfsletevdlrkplenlgmtdmfrqfqa
    dftslsdqeplhvalalqkvkievnesgtvassstavivsarmapeeiiidrpflfvvrh
    nptgtvlfmgqvmep
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ut3B (B:)
    psyvahlasdfgvrvfqqvaqaskdrnvvfspygvasvlamlqlttggetqqqiqaamgf
    kiddkgmapalrhlykelmgpwnkdeisttdaifvqrdlklvqgfmphffrlfrstvkqv
    dfseverarfiindwvkthtkgmishllgtgavdqltrlvlvnalyfngqwktpfpdsst
    hrrlfhksdgstvsvpmmaqtnkfnytefttpdghyydilelpyhgdtlsmfiaapyeke
    vplsaltnilsaqlishwkgnmtrlprllvlpkfsletevdlrkplenlgmtdmfrqfqa
    dftslsdqeplhvalalqkvkievnesgapeeiiidrpflfvvrhnptgtvlfmgqvmep
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3ut3C (C:)
    psyvahlasdfgvrvfqqvaqaskdrnvvfspygvasvlamlqlttggetqqqiqaamgf
    kiddkgmapalrhlykelmgpwnkdeisttdaifvqrdlklvqgfmphffrlfrstvkqv
    dfseverarfiindwvkthtkgmishllgtgavdqltrlvlvnalyfngqwktpfpdsst
    hrrlfhksdgstvsvpmmaqtnkfnytefttpdghyydilelpyhgdtlsmfiaapyeke
    vplsaltnilsaqlishwkgnmtrlprllvlpkfsletevdlrkplenlgmtdmfrqfqa
    dftslsdqeplhvalalqkvkievnesgtvassstavivsarmapeeiiidrpflfvvrh
    nptgtvlfmgqvmep
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ut3C (C:)
    yvahlasdfgvrvfqqvaqaskdrnvvfspygvasvlamlqlttggetqqqiqaamgfki
    ddkgmapalrhlykelmgpwnkdeisttdaifvqrdlklvqgfmphffrlfrstvkqvdf
    severarfiindwvkthtkgmishllgtgavdqltrlvlvnalyfngqwktpfpdssthr
    rlfhksdgstvsvpmmaqtnkfnytefttpdghyydilelpyhgdtlsmfiaapyekevp
    lsaltnilsaqlishwkgnmtrlprllvlpkfsletevdlrkplenlgmtdmfrqfqadf
    tslsdqeplhvalalqkvkievnesgtvavivsarmapeeiiidrpflfvvrhnptgtvl
    fmgqvmep
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3ut3D (D:)
    psyvahlasdfgvrvfqqvaqaskdrnvvfspygvasvlamlqlttggetqqqiqaamgf
    kiddkgmapalrhlykelmgpwnkdeisttdaifvqrdlklvqgfmphffrlfrstvkqv
    dfseverarfiindwvkthtkgmishllgtgavdqltrlvlvnalyfngqwktpfpdsst
    hrrlfhksdgstvsvpmmaqtnkfnytefttpdghyydilelpyhgdtlsmfiaapyeke
    vplsaltnilsaqlishwkgnmtrlprllvlpkfsletevdlrkplenlgmtdmfrqfqa
    dftslsdqeplhvalalqkvkievnesgtvassstavivsarmapeeiiidrpflfvvrh
    nptgtvlfmgqvmep
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ut3D (D:)
    psyvahlasdfgvrvfqqvaqaskdrnvvfspygvasvlamlqlttggetqqqiqaamgf
    kiddkgmapalrhlykelmgpwnkdeisttdaifvqrdlklvqgfmphffrlfrstvkqv
    dfseverarfiindwvkthtkgmishllgtgavdqltrlvlvnalyfngqwktpfpdsst
    hrrlfhksdgstvsvpmmaqtnkfnytefttpdghyydilelpyhgdtlsmfiaapyeke
    vplsaltnilsaqlishwkgnmtrlprllvlpkfsletevdlrkplenlgmtdmfrqfqa
    dftslsdqeplhvalalqkvkievnesgapeeiiidrpflfvvrhnptgtvlfmgqvmep