MolNFT v2 · #145050 · protein
Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd13
6BL1: “Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd13”. X-ray diffraction at 2.02, 3 ligands (ICT, DWG, CA). MolNFT v2 #145050 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6BL1
- Type
- protein
- Length
- 1,248 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.02
- Source
- Homo sapiens
- UniProt
- O75874
- Ligands
- ICT, DWG, CA
Structure
x-ray diffraction · resolution 2.02 · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, C, A | — | protein | 416 | — | O75874 |
Ligands and binding sites
- ICT · Isocitric acid · ligand · 3 copies · chains B, A, C
- DWG · (6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile · ligand · 3 copies · chains B, C, A
- CA · Calcium ion · metal · 3 copies · chains B, A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6BL1 · 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
- 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 0.96
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 6BL1 · PDBe 6BL1 · UniProt O75874
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