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 2.08 freeze date was dated 2017-09-20, with a file datestamp of 2017-09-15.
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)
      • engineered mutation (139)
      • expression tag (452-456)
    Domains in SCOPe 2.08: 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
      • engineered mutation (139)
    Domains in SCOPe 2.08: 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