PDB entry 6a9o

View 6a9o on RCSB PDB site
Description: Rational discovery of a SOD1 tryptophan oxidation inhibitor with therapeutic potential for amyotrophic lateral sclerosis
Class: oxidoreductase/inhibitor
Keywords: dismutase, dimer, oxidation, OXIDOREDUCTASE-INHIBITOR complex
Deposited on 2018-07-14, released 2019-07-17
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-08-14, with a file datestamp of 2019-08-09.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: N/A
AEROSPACI score: 0.2 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Superoxide dismutase [Cu-Zn]
    Species: Homo sapiens [TaxId:9606]
    Gene: SOD1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6a9oa_
  • Chain 'B':
    Compound: Superoxide dismutase [Cu-Zn]
    Species: Homo sapiens [TaxId:9606]
    Gene: SOD1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6a9ob_
  • Chain 'C':
    Compound: Superoxide dismutase [Cu-Zn]
    Species: Homo sapiens [TaxId:9606]
    Gene: SOD1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6a9oc_
  • Chain 'D':
    Compound: Superoxide dismutase [Cu-Zn]
    Species: Homo sapiens [TaxId:9606]
    Gene: SOD1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6a9od_
  • Chain 'E':
    Compound: Superoxide dismutase [Cu-Zn]
    Species: Homo sapiens [TaxId:9606]
    Gene: SOD1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6a9oe_
  • Chain 'F':
    Compound: Superoxide dismutase [Cu-Zn]
    Species: Homo sapiens [TaxId:9606]
    Gene: SOD1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6a9of_
  • Chain 'G':
    Compound: Superoxide dismutase [Cu-Zn]
    Species: Homo sapiens [TaxId:9606]
    Gene: SOD1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6a9og_
  • Chain 'H':
    Compound: Superoxide dismutase [Cu-Zn]
    Species: Homo sapiens [TaxId:9606]
    Gene: SOD1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6a9oh_
  • Chain 'I':
    Compound: Superoxide dismutase [Cu-Zn]
    Species: Homo sapiens [TaxId:9606]
    Gene: SOD1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6a9oi_
  • Chain 'J':
    Compound: Superoxide dismutase [Cu-Zn]
    Species: Homo sapiens [TaxId:9606]
    Gene: SOD1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6a9oj_
  • Heterogens: ZN, DMS, GOL, S4P, 6B3, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >6a9oA (A:)
matkavcvlkgdgpvqgiinfeqkesngpvkvwgsikglteglhgfhvhefgdntagcts
agphfnplsrkhggpkdeerhvgdlgnvtadkdgvadvsiedsvislsgdhciigrtlvv
hekaddlgkggneestktgnagsrlacgvigiaq

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >6a9oB (B:)
matkavcvlkgdgpvqgiinfeqkesngpvkvwgsikglteglhgfhvhefgdntagcts
agphfnplsrkhggpkdeerhvgdlgnvtadkdgvadvsiedsvislsgdhciigrtlvv
hekaddlgkggneestktgnagsrlacgvigiaq

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >6a9oC (C:)
matkavcvlkgdgpvqgiinfeqkesngpvkvwgsikglteglhgfhvhefgdntagcts
agphfnplsrkhggpkdeerhvgdlgnvtadkdgvadvsiedsvislsgdhciigrtlvv
hekaddlgkggneestktgnagsrlacgvigiaq

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >6a9oD (D:)
matkavcvlkgdgpvqgiinfeqkesngpvkvwgsikglteglhgfhvhefgdntagcts
agphfnplsrkhggpkdeerhvgdlgnvtadkdgvadvsiedsvislsgdhciigrtlvv
hekaddlgkggneestktgnagsrlacgvigiaq

  • Chain 'E':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >6a9oE (E:)
matkavcvlkgdgpvqgiinfeqkesngpvkvwgsikglteglhgfhvhefgdntagcts
agphfnplsrkhggpkdeerhvgdlgnvtadkdgvadvsiedsvislsgdhciigrtlvv
hekaddlgkggneestktgnagsrlacgvigiaq

  • Chain 'F':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >6a9oF (F:)
matkavcvlkgdgpvqgiinfeqkesngpvkvwgsikglteglhgfhvhefgdntagcts
agphfnplsrkhggpkdeerhvgdlgnvtadkdgvadvsiedsvislsgdhciigrtlvv
hekaddlgkggneestktgnagsrlacgvigiaq

  • Chain 'G':
    Sequence, based on SEQRES records: (download) 
    >6a9oG (G:)
matkavcvlkgdgpvqgiinfeqkesngpvkvwgsikglteglhgfhvhefgdntagcts
agphfnplsrkhggpkdeerhvgdlgnvtadkdgvadvsiedsvislsgdhciigrtlvv
hekaddlgkggneestktgnagsrlacgvigiaq

    Sequence, based on observed residues (ATOM records): (download) 
    >6a9oG (G:)
atkavcvlkgdgpvqgiinfeqkesngpvkvwgsikglteglhgfhvhefgdntagctsa
gphfnprhvgdlgnvtadkdgvadvsiedsvislsgdhciigrtlvvhekaddlgsrlac
gvigiaq

  • Chain 'H':
    Sequence, based on SEQRES records: (download) 
    >6a9oH (H:)
matkavcvlkgdgpvqgiinfeqkesngpvkvwgsikglteglhgfhvhefgdntagcts
agphfnplsrkhggpkdeerhvgdlgnvtadkdgvadvsiedsvislsgdhciigrtlvv
hekaddlgkggneestktgnagsrlacgvigiaq

    Sequence, based on observed residues (ATOM records): (download) 
    >6a9oH (H:)
atkavcvlkgdgpvqgiinfeqkesngpvkvwgsikglteglhgfhvhefgdntagctsa
gphfnplsrkhggpkdeerhvgdlgnvtadkdgvadvsiedsvislsgdhciigrtlvvh
ekaddlgkggneestktgnagsrlacgvigiaq

  • Chain 'I':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >6a9oI (I:)
matkavcvlkgdgpvqgiinfeqkesngpvkvwgsikglteglhgfhvhefgdntagcts
agphfnplsrkhggpkdeerhvgdlgnvtadkdgvadvsiedsvislsgdhciigrtlvv
hekaddlgkggneestktgnagsrlacgvigiaq

  • Chain 'J':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >6a9oJ (J:)
matkavcvlkgdgpvqgiinfeqkesngpvkvwgsikglteglhgfhvhefgdntagcts
agphfnplsrkhggpkdeerhvgdlgnvtadkdgvadvsiedsvislsgdhciigrtlvv
hekaddlgkggneestktgnagsrlacgvigiaq