PDB entry 4ja8

View 4ja8 on RCSB PDB site
Description: Complex of Mitochondrial Isocitrate Dehydrogenase R140Q Mutant with AGI-6780 Inhibitor
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: protein-inhibitor complex, metabolic enzyme oncometabolite, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2013-02-18, released 2013-04-10
The last revision prior to the SCOPe 2.08 freeze date was dated 2017-11-15, with a file datestamp of 2017-11-10.
Experiment type: XRAY
Resolution: 1.55 Å
R-factor: N/A
AEROSPACI score: 0.45 (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 (0-411)
      • engineered mutation (99)
      • expression tag (412-415)
    Domains in SCOPe 2.08: d4ja8a1, d4ja8a2
  • 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 (99)
    Domains in SCOPe 2.08: d4ja8b_
  • Heterogens: NDP, 1K9, CA, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4ja8A (A:)
dkrikvakpvvemdgdemtriiwqfikeklilphvdiqlkyfdlglpnrdqtddqvtids
alatqkysvavkcatitpdearveefklkkmwkspngtiqnilggtvfrepiickniprl
vpgwtkpitigrhahgdqykatdfvadragtfkmvftpkdgsgvkewevynfpaggvgmg
myntdesisgfahscfqyaiqkkwplymstkntilkaydgrfkdifqeifdkhyktdfdk
nkiwyehrliddmvaqvlkssggfvwacknydgdvqsdilaqgfgslglmtsvlvcpdgk
tieaeaahgtvtrhyrehqkgrptstnpiasifawtrglehrgkldgnqdlirfaqmlek
vcvetvesgamtkdlagcihglsnvklnehflnttdfldtiksnldralgrqhhhh

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4ja8B (B:)
dkrikvakpvvemdgdemtriiwqfikeklilphvdiqlkyfdlglpnrdqtddqvtids
alatqkysvavkcatitpdearveefklkkmwkspngtiqnilggtvfrepiickniprl
vpgwtkpitigrhahgdqykatdfvadragtfkmvftpkdgsgvkewevynfpaggvgmg
myntdesisgfahscfqyaiqkkwplymstkntilkaydgrfkdifqeifdkhyktdfdk
nkiwyehrliddmvaqvlkssggfvwacknydgdvqsdilaqgfgslglmtsvlvcpdgk
tieaeaahgtvtrhyrehqkgrptstnpiasifawtrglehrgkldgnqdlirfaqmlek
vcvetvesgamtkdlagcihglsnvklnehflnttdfldtiksnldralgrqhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4ja8B (B:)
rikvakpvvemdgdemtriiwqfikeklilphvdiqlkyfdlglpnrdqtddqvtidsal
atqkysvavkcatitpdearveefklkkmwkspngtiqnilggtvfrepiickniprlvp
gwtkpitigrhahgdqykatdfvadragtfkmvftpkdgsgvkewevynfpaggvgmgmy
ntdesisgfahscfqyaiqkkwplymstkntilkaydgrfkdifqeifdkhyktdfdknk
iwyehrliddmvaqvlkssggfvwacknydgdvqsdilaqgfgslglmtsvlvcpdgkti
eaeaahgtvtrhyrehqkgrptstnpiasifawtrglehrgkldgnqdlirfaqmlekvc
vetvesgamtkdlagcihglsnvklnehflnttdfldtiksnldra