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MolNFT v2 · #144367 · protein

IDH1 R132H mutant in complex with IDH305

6B0Z: “IDH1 R132H mutant in complex with IDH305”. X-ray diffraction at 2.334, 2 ligands (C81, NDP). MolNFT v2 #144367 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6B0Z
Type
protein
Length
1,617 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.334
Source
Homo sapiens
UniProt
O75874
Ligands
C81, NDP

Structure

x-ray diffraction · resolution 2.334 · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein399—O75874
C—protein410—O75874
B—protein409—O75874
D—protein399—O75874

Ligands and binding sites

  • C81 · (4R)-4-[(1S)-1-fluoroethyl]-3-[2-({(1S)-1-[4-methyl-2'-(trifluoromethyl)[3,4'-bipyridin]-6-yl]ethyl}amino) pyrimidin-4-yl]-1,3-oxazolidin-2-one · ligand · 6 copies · chains A, C, B, D
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, C, B, D
  • FLC · Citrate anion · additive · 4 copies · chains A, C, B, D

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

Compared structures

  • 6B0Z · IDH1 R132H mutant in complex with IDH305 · the same entry in another collection · chain D against D, TM-score 1.00
  • 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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