PDB entry 3tzs

View 3tzs on RCSB PDB site
Description: Crystal structure of Neutrophil gelatinase-associated lipocalin NGAL (C87S mutant) in complex with fragment 1026, phenylurea
Class: apoptosis
Keywords: Structural Genomics, Seattle Structural Genomics Center for Infectious Disease, SSGCID, iron trafficking, lipocalin, siderocalin, fragment based drug design, FBDD, Fragments of Life, EBSI-01644, APOPTOSIS
Deposited on 2011-09-27, released 2011-10-12
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-02-13, with a file datestamp of 2019-02-08.
Experiment type: XRAY
Resolution: 2.45 Å
R-factor: N/A
AEROSPACI score: 0.22 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Neutrophil gelatinase-associated lipocalin
    Species: Homo sapiens [TaxId:9606]
    Gene: HNL, LCN2, NGAL, Oncogene 24p3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P80188
      • engineered mutation (87)
    Domains in SCOPe 2.08: d3tzsa_
  • Chain 'B':
    Compound: Neutrophil gelatinase-associated lipocalin
    Species: Homo sapiens [TaxId:9606]
    Gene: HNL, LCN2, NGAL, Oncogene 24p3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P80188
      • engineered mutation (87)
    Domains in SCOPe 2.08: d3tzsb_
  • Chain 'C':
    Compound: Neutrophil gelatinase-associated lipocalin
    Species: Homo sapiens [TaxId:9606]
    Gene: HNL, LCN2, NGAL, Oncogene 24p3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P80188
      • engineered mutation (87)
    Domains in SCOPe 2.08: d3tzsc_
  • Heterogens: PHU, SO4, CL, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3tzsA (A:)
    gqdstsdlipapplskvplqqnfqdnqfqgkwyvvglagnailredkdpqkmyatiyelk
    edksynvtsvlfrkkkcdywirtfvpgsqpgeftlgniksypgltsylvrvvstnynqha
    mvffkkvsqnreyfkitlygrtkeltselkenfirfskslglpenhivfpvpidqcidgi
    vtd
    

    Sequence, based on observed residues (ATOM records): (download)
    >3tzsA (A:)
    tsdlipapplskvplqqnfqdnqfqgkwyvvglagnailredkdpqkmyatiyelkedks
    ynvtsvlfrkkkcdywirtfvpgsqpgeftlgniksypgltsylvrvvstnynqhamvff
    kkvsqnreyfkitlygrtkeltselkenfirfskslglpenhivfpvpidqcid
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3tzsB (B:)
    gqdstsdlipapplskvplqqnfqdnqfqgkwyvvglagnailredkdpqkmyatiyelk
    edksynvtsvlfrkkkcdywirtfvpgsqpgeftlgniksypgltsylvrvvstnynqha
    mvffkkvsqnreyfkitlygrtkeltselkenfirfskslglpenhivfpvpidqcidgi
    vtd
    

    Sequence, based on observed residues (ATOM records): (download)
    >3tzsB (B:)
    sdlipapplskvplqqnfqdnqfqgkwyvvglagnailredkdpqkmyatiyelkedksy
    nvtsvlfrkkkcdywirtfvpgsqpgeftlgniksypgltsylvrvvstnynqhamvffk
    kvsqnreyfkitlygrtkeltselkenfirfskslglpenhivfpvpidqcid
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3tzsC (C:)
    gqdstsdlipapplskvplqqnfqdnqfqgkwyvvglagnailredkdpqkmyatiyelk
    edksynvtsvlfrkkkcdywirtfvpgsqpgeftlgniksypgltsylvrvvstnynqha
    mvffkkvsqnreyfkitlygrtkeltselkenfirfskslglpenhivfpvpidqcidgi
    vtd
    

    Sequence, based on observed residues (ATOM records): (download)
    >3tzsC (C:)
    sdlipapplskvplqqnfqdnqfqgkwyvvglagnailredkdpqkmyatiyelkedksy
    nvtsvlfrkkkcdywirtfvpgsqpgeftlgniksypgltsylvrvvstnynqhamvffk
    kvsqnreyfkitlygrtkeltselkenfirfskslglpenhivfpvpidqcid