PDB entry 5i96

View 5i96 on RCSB PDB site
Description: Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor.
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: IDH, IDH2, enasidenib, AG-221, IDH2 AG-221, ICD-M, IDP NADP(+)-specific ICDH Oxalosuccinate decarboxylase, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2016-02-19, released 2017-03-08
The last revision prior to the SCOPe 2.06 freeze date was dated 2017-03-08, with a file datestamp of 2017-03-03.
Experiment type: XRAY
Resolution: 1.55 Å
R-factor: N/A
AEROSPACI score: 0.46 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Isocitrate dehydrogenase [NADP], mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: IDH2
    Database cross-references and differences (RAF-indexed):
    • Uniprot P48735 (Start-451)
      • conflict (139)
      • expression tag (452-456)
    Domains in SCOPe 2.06: d5i96a1, d5i96a2
  • Chain 'B':
    Compound: Isocitrate dehydrogenase [NADP], mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: IDH2
    Database cross-references and differences (RAF-indexed):
    • Uniprot P48735
      • conflict (139)
    Domains in SCOPe 2.06: d5i96b_
  • Heterogens: CA, GOL, NDP, NA, ACT, 69Q, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5i96A (A:)
    magylrvvrslcrasgsrpawapaaltaptsqeqprrhyadkrikvakpvvemdgdemtr
    iiwqfikeklilphvdiqlkyfdlglpnrdqtddqvtidsalatqkysvavkcatitpde
    arveefklkkmwkspngtiqnilggtvfrepiickniprlvpgwtkpitigrhahgdqyk
    atdfvadragtfkmvftpkdgsgvkewevynfpaggvgmgmyntdesisgfahscfqyai
    qkkwplymstkntilkaydgrfkdifqeifdkhyktdfdknkiwyehrliddmvaqvlks
    sggfvwacknydgdvqsdilaqgfgslglmtsvlvcpdgktieaeaahgtvtrhyrehqk
    grptstnpiasifawtrglehrgkldgnqdlirfaqmlekvcvetvesgamtkdlagcih
    glsnvklnehflnttdfldtiksnldralgrqhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i96A (A:)
    dkrikvakpvvemdgdemtriiwqfikeklilphvdiqlkyfdlglpnrdqtddqvtids
    alatqkysvavkcatitpdearveefklkkmwkspngtiqnilggtvfrepiickniprl
    vpgwtkpitigrhahgdqykatdfvadragtfkmvftpkdgsgvkewevynfpaggvgmg
    myntdesisgfahscfqyaiqkkwplymstkntilkaydgrfkdifqeifdkhyktdfdk
    nkiwyehrliddmvaqvlkssggfvwacknydgdvqsdilaqgfgslglmtsvlvcpdgk
    tieaeaahgtvtrhyrehqkgrptstnpiasifawtrglehrgkldgnqdlirfaqmlek
    vcvetvesgamtkdlagcihglsnvklnehflnttdfldtiksnldralgrqhhhhh
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5i96B (B:)
    magylrvvrslcrasgsrpawapaaltaptsqeqprrhyadkrikvakpvvemdgdemtr
    iiwqfikeklilphvdiqlkyfdlglpnrdqtddqvtidsalatqkysvavkcatitpde
    arveefklkkmwkspngtiqnilggtvfrepiickniprlvpgwtkpitigrhahgdqyk
    atdfvadragtfkmvftpkdgsgvkewevynfpaggvgmgmyntdesisgfahscfqyai
    qkkwplymstkntilkaydgrfkdifqeifdkhyktdfdknkiwyehrliddmvaqvlks
    sggfvwacknydgdvqsdilaqgfgslglmtsvlvcpdgktieaeaahgtvtrhyrehqk
    grptstnpiasifawtrglehrgkldgnqdlirfaqmlekvcvetvesgamtkdlagcih
    glsnvklnehflnttdfldtiksnldralgrqhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i96B (B:)
    rikvakpvvemdgdemtriiwqfikeklilphvdiqlkyfdlglpnrdqtddqvtidsal
    atqkysvavkcatitpdearveefklkkmwkspngtiqnilggtvfrepiickniprlvp
    gwtkpitigrhahgdqykatdfvadragtfkmvftpkdgsgvkewevynfpaggvgmgmy
    ntdesisgfahscfqyaiqkkwplymstkntilkaydgrfkdifqeifdkhyktdfdknk
    iwyehrliddmvaqvlkssggfvwacknydgdvqsdilaqgfgslglmtsvlvcpdgkti
    eaeaahgtvtrhyrehqkgrptstnpiasifawtrglehrgkldgnqdlirfaqmlekvc
    vetvesgamtkdlagcihglsnvklnehflnttdfldtiksnldral