Structure of PDB 6vfz Chain A

Receptor sequence
>6vfzA (length=416) Species: 9606 (Homo sapiens) [Search protein sequence]
DKRIKVAKPVVEMDGDEMTRIIWQFIKEKLILPHVDIQLKYFDLGLPNRD
QTDDQVTIDSALATQKYSVAVKCATITPDEARVEEFKLKKMWKSPNGTIQ
NILGGTVFREPIICKNIPRLVPGWTKPITIGRHAHGDQYKATDFVADRAG
TFKMVFTPKDGSGVKEWEVYNFPAGGVGMGMYNTDESISGFAHSCFQYAI
QKKWPLYMSTKNTILKAYDGRFKDIFQEIFDKHYKTDFDKNKIWYEHRLI
DDMVAQVLKSSGGFVWACKNYDGDVQSDILAQGFGSLGLMTSVLVCPDGK
TIEAEAAHGTVTRHYREHQKGRPTSTNPIASIFAWTRGLEHRGKLDGNQD
LIRFAQMLEKVCVETVESGAMTKDLAGCIHGLSNVKLNEHFLNTTDFLDT
IKSNLDRALGRQHHHH
3D structure
PDB6vfz Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
ChainA
Resolution1.99 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 1.1.1.42: isocitrate dehydrogenase (NADP(+)).
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 9UO A V294 V297 D312 V315 Q316 I319 V254 V257 D272 V275 Q276 I279 BindingDB: IC50=8.0nM
BS02 NDP A A114 T115 I116 T117 N136 E345 H348 G349 T350 V351 T352 R353 H354 T366 N367 A74 T75 I76 T77 N96 E305 H308 G309 T310 V311 T312 R313 H314 T326 N327
BS03 CA A D314 D318 D274 D278
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004450 isocitrate dehydrogenase (NADP+) activity
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0046872 metal ion binding
GO:0051287 NAD binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006097 glyoxylate cycle
GO:0006099 tricarboxylic acid cycle
GO:0006102 isocitrate metabolic process
GO:0006103 2-oxoglutarate metabolic process
GO:0006739 NADP metabolic process
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0005777 peroxisome
GO:0005829 cytosol
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6vfz, PDBe:6vfz, PDBj:6vfz
PDBsum6vfz
PubMed32071674
UniProtP48735|IDHP_HUMAN Isocitrate dehydrogenase [NADP], mitochondrial (Gene Name=IDH2)

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