MolNFT v1 · #125686 · protein
Crystal structure of human IDH1 mutant (R132H) in complex with NADP+ and an inhibitor related to bay 1436032
5LGE: “Crystal structure of human IDH1 mutant (R132H) in complex with NADP+ and an inhibitor related to bay 1436032”. X-ray diffraction, 2 ligands (NAP, 6VN). MolNFT v1 #125686 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5LGE
- Type
- protein
- Length
- 1,639 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- O75874
- Ligands
- NAP, 6VN
Structure
x-ray diffraction · 4 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 406 | — | O75874 |
| B | — | protein | 407 | — | O75874 |
| C | — | protein | 414 | — | O75874 |
| D | — | protein | 412 | — | O75874 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, B, C, D
- 6VN · 2-[(4-propan-2-ylphenyl)amino]-1-[(1~{S},5~{S})-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid · ligand · 2 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, C
- ACT · Acetate ion · additive · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5LGE · Crystal Structure of human IDH1 mutant (R132H) in complex with NADP+ and an Inhibitor… · the same entry in another collection · chain B against B, TM-score 1.00
- O75874 · AlphaFold monomer V2.0 prediction for isocitrate dehydrogenase [NADP] cytoplasmic (O75874) · a predicted model of the same protein · chain D against A, TM-score 0.95
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt O75874
- Elsewhere: RCSB PDB 5LGE · PDBe 5LGE · UniProt O75874
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