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MolNFT v1 · #135152 · protein

IDH1 R132H mutant in complex with IDH889

5TQH: “IDH1 R132H mutant in complex with IDH889”. X-ray diffraction, 2 ligands (7J2, NDP). MolNFT v1 #135152 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5TQH
Type
protein
Length
1,618 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
O75874
Ligands
7J2, NDP

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein401—O75874
B—protein407—O75874
C—protein408—O75874
D—protein402—O75874

Ligands and binding sites

  • 7J2 · (4S)-3-[2-({(1S)-1-[5-(4-fluoro-3-methylphenyl) pyrimidin-2-yl]ethyl}amino)pyrimidin-4-yl]-4-(propan-2-yl)-1,3-oxazolidin-2-one · ligand · 4 copies · chains A, C, B, D
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, B, D, C
  • FLC · Citrate anion · additive · 4 copies · chains A, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • O75874 · AlphaFold monomer V2.0 prediction for isocitrate dehydrogenase [NADP] cytoplasmic (O75874) · a predicted model of the same protein · chain B against A, TM-score 0.94

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