MolNFT v1 · #144159 · protein
Novel modes of inhibition of wild-type IDH1:DIRECT covalent modification of HIS315 with CMPD11
6BL0: “Novel modes of inhibition of wild-type IDH1:DIRECT covalent modification of HIS315 with CMPD11”. X-ray diffraction, 4 ligands (ICT, NAP, DWJ). MolNFT v1 #144159 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6BL0
- Type
- protein
- Length
- 1,248 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- O75874
- Ligands
- ICT, NAP, DWJ, MG
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | — | protein | 416 | — | O75874 |
Ligands and binding sites
- ICT · Isocitric acid · ligand · 3 copies · chains A, B, C
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B, C
- DWJ · (5aS,6S,8S,9aS)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[g]indazole-8-carbonitrile · ligand · chains A
- MG · Magnesium ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6BL0 · Novel Modes of Inhibition of Wild-Type IDH1:Direct Covalent Modification of His315 with… · the same entry in another collection · chain A against A, TM-score 1.00
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 6BL0 · PDBe 6BL0 · UniProt O75874
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