MolNFT v1 · #165346 · protein
Crystal structure of human aldehyde dehydrogenase 1A3 in complex with MF13 inhibitor compound
6TRY: “Crystal structure of human aldehyde dehydrogenase 1A3 in complex with MF13 inhibitor compound”. X-ray diffraction, 2 ligands (NAD, NW8). MolNFT v1 #165346 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6TRY
- Type
- protein
- Length
- 960 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P47895
- Ligands
- NAD, NW8
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 478 | — | P47895 |
| B | — | protein | 482 | — | P47895 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- NW8 · 8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6TRY · Crystal structure of human Aldehyde dehydrogenase 1A3 in complex with MF13 inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
- P47895 · AlphaFold monomer V2.0 prediction for aldehyde dehydrogenase family 1 member A3 (P47895) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P47895
- Elsewhere: RCSB PDB 6TRY · PDBe 6TRY · UniProt P47895
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