PDB entry 3g76

View 3g76 on RCSB PDB site
Description: Crystal structure of XIAP-BIR3 in complex with a bivalent compound
Class: ligase
Keywords: Apoptosis, IAP, SmacDIABLO, peptidomimetics, pro-apoptotic drugs, Cytoplasm, Ligase, Metal-binding, Phosphoprotein, Polymorphism, Protease inhibitor, Thiol protease inhibitor, Ubl conjugation, Ubl conjugation pathway, Zinc, Zinc-finger
Deposited on 2009-02-09, released 2009-05-12
The last revision prior to the SCOPe 2.06 freeze date was dated 2009-10-27, with a file datestamp of 2009-10-23.
Experiment type: XRAY
Resolution: 3 Å
R-factor: 0.235
AEROSPACI score: 0.16 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: baculoviral iap repeat-containing protein 4
    Species: Homo sapiens [TaxId:9606]
    Gene: XIAP
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3g76a_
  • Chain 'B':
    Compound: baculoviral iap repeat-containing protein 4
    Species: Homo sapiens [TaxId:9606]
    Gene: XIAP
    Database cross-references and differences (RAF-indexed):
    • Uniprot P98170 (Start-115)
      • expression tag (116)
    Domains in SCOPe 2.06: d3g76b1, d3g76b2
  • Chain 'C':
    Compound: baculoviral iap repeat-containing protein 4
    Species: Homo sapiens [TaxId:9606]
    Gene: XIAP
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3g76c_
  • Chain 'D':
    Compound: baculoviral iap repeat-containing protein 4
    Species: Homo sapiens [TaxId:9606]
    Gene: XIAP
    Database cross-references and differences (RAF-indexed):
    • Uniprot P98170 (Start-115)
      • expression tag (116)
    Domains in SCOPe 2.06: d3g76d1, d3g76d2
  • Chain 'E':
    Compound: baculoviral iap repeat-containing protein 4
    Species: Homo sapiens [TaxId:9606]
    Gene: XIAP
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3g76e_
  • Chain 'F':
    Compound: baculoviral iap repeat-containing protein 4
    Species: Homo sapiens [TaxId:9606]
    Gene: XIAP
    Database cross-references and differences (RAF-indexed):
    • Uniprot P98170 (Start-115)
      • expression tag (116-117)
    Domains in SCOPe 2.06: d3g76f1, d3g76f2
  • Chain 'G':
    Compound: baculoviral iap repeat-containing protein 4
    Species: Homo sapiens [TaxId:9606]
    Gene: XIAP
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3g76g_
  • Chain 'H':
    Compound: baculoviral iap repeat-containing protein 4
    Species: Homo sapiens [TaxId:9606]
    Gene: XIAP
    Database cross-references and differences (RAF-indexed):
    • Uniprot P98170 (Start-115)
      • expression tag (116)
    Domains in SCOPe 2.06: d3g76h1, d3g76h2
  • Heterogens: ZN, CZ3, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3g76A (A:)
    sdavssdrnfpnstnlprnpsmadyeariftfgtwiysvnkeqlaragfyalgegdkvkc
    fhcgggltdwkpsedpweqhakwypgckylleqkgqeyinnihlthsleeclvrtthhhh
    hh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3g76A (A:)
    nstnlprnpsmadyeariftfgtwiysvnkeqlaragfyalgegdkvkcfhcgggltdwk
    psedpweqhakwypgckylleqkgqeyinnihlthsl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3g76B (B:)
    sdavssdrnfpnstnlprnpsmadyeariftfgtwiysvnkeqlaragfyalgegdkvkc
    fhcgggltdwkpsedpweqhakwypgckylleqkgqeyinnihlthsleeclvrtthhhh
    hh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3g76B (B:)
    stnlprnpsmadyeariftfgtwiysvnkeqlaragfyalgegdkvkcfhcgggltdwkp
    sedpweqhakwypgckylleqkgqeyinnihlthsleeclvrtth
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3g76C (C:)
    sdavssdrnfpnstnlprnpsmadyeariftfgtwiysvnkeqlaragfyalgegdkvkc
    fhcgggltdwkpsedpweqhakwypgckylleqkgqeyinnihlthsleeclvrtthhhh
    hh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3g76C (C:)
    stnlprnpsmadyeariftfgtwiysvnkeqlaragfyalgegdkvkcfhcgggltdwkp
    sedpweqhakwypgckylleqkgqeyinnihlthsl
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3g76D (D:)
    sdavssdrnfpnstnlprnpsmadyeariftfgtwiysvnkeqlaragfyalgegdkvkc
    fhcgggltdwkpsedpweqhakwypgckylleqkgqeyinnihlthsleeclvrtthhhh
    hh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3g76D (D:)
    stnlprnpsmadyeariftfgtwiysvnkeqlaragfyalgegdkvkcfhcgggltdwkp
    sedpweqhakwypgckylleqkgqeyinnihlthsleeclvrtth
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3g76E (E:)
    sdavssdrnfpnstnlprnpsmadyeariftfgtwiysvnkeqlaragfyalgegdkvkc
    fhcgggltdwkpsedpweqhakwypgckylleqkgqeyinnihlthsleeclvrtthhhh
    hh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3g76E (E:)
    stnlprnpsmadyeariftfgtwiysvnkeqlaragfyalgegdkvkcfhcgggltdwkp
    sedpweqhakwypgckylleqkgqeyinnihlths
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >3g76F (F:)
    sdavssdrnfpnstnlprnpsmadyeariftfgtwiysvnkeqlaragfyalgegdkvkc
    fhcgggltdwkpsedpweqhakwypgckylleqkgqeyinnihlthsleeclvrtthhhh
    hh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3g76F (F:)
    nlprnpsmadyeariftfgtwiysvnkeqlaragfyalgegdkvkcfhcgggltdwkpse
    dpweqhakwypgckylleqkgqeyinnihlthsleeclvrtthh
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >3g76G (G:)
    sdavssdrnfpnstnlprnpsmadyeariftfgtwiysvnkeqlaragfyalgegdkvkc
    fhcgggltdwkpsedpweqhakwypgckylleqkgqeyinnihlthsleeclvrtthhhh
    hh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3g76G (G:)
    stnlprnpsmadyeariftfgtwiysvnkeqlaragfyalgegdkvkcfhcgggltdwkp
    sedpweqhakwypgckylleqkgqeyinnihlths
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >3g76H (H:)
    sdavssdrnfpnstnlprnpsmadyeariftfgtwiysvnkeqlaragfyalgegdkvkc
    fhcgggltdwkpsedpweqhakwypgckylleqkgqeyinnihlthsleeclvrtthhhh
    hh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3g76H (H:)
    stnlprnpsmadyeariftfgtwiysvnkeqlaragfyalgegdkvkcfhcgggltdwkp
    sedpweqhakwypgckylleqkgqeyinnihlthsleeclvrtth