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8HB9

Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053

This is a non-PDB format compatible entry.
Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, B, C, D
(AAA, BBB, CCC, DDD)
Isocitrate dehydrogenase [NADP] cytoplasmicpolymer41446701.24UniProt (O75874)
Pfam (PF00180)
Homo sapiens (human)IDH,Cytosolic NADP-isocitrate dehydrogenase,IDP,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase
2E, O, R, U
(AAA, BBB, CCC, DDD)
[2-[2-[[1-[4-[(1S)-1-[[5-fluoranyl-4-[(4S)-2-oxidanylidene-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]piperidin-4-yl]sulfamoyl]ethylsulfanylmethyl]-3-oxidanylidene-propyl]-trimethyl-azaniumnon-polymer694.94Chemie (R1R)
3F, P, S, V
(AAA, BBB, CCC, DDD)
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATEnon-polymer745.44Chemie (NDP)
4G, H, K, L, Q...
(AAA, BBB, CCC, DDD)
GLYCEROLnon-polymer92.17Chemie (GOL)
5I, J, M, N, X
(AAA, DDD)
DI(HYDROXYETHYL)ETHERnon-polymer106.15Chemie (PEG)
6AA, BA, Y, Z
(CCC, DDD, AAA, BBB)
waterwater18.0252Chemie (HOH)
Sequence modifications
AAA, BBB, CCC, DDD: 1 - 414 (UniProt: O75874)
PDBExternal DatabaseDetails
His 132Arg 132engineered mutation
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains4
Total formula weight186804.7
Non-Polymers*Number of molecules20
Total formula weight6936.6
All*Total formula weight193741.3
*Water molecules are not included.

239803

PDB entries from 2025-08-06

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