MolNFT v1 · #165022 · protein
Crystal structure of human aldehyde dehydrogenase 1A3 in complex with a selective inhibitor
6TGW: “Crystal structure of human aldehyde dehydrogenase 1A3 in complex with a selective inhibitor”. X-ray diffraction, 2 ligands (NAD, N98). MolNFT v1 #165022 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6TGW
- Type
- protein
- Length
- 1,913 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P47895
- Ligands
- NAD, N98
Structure
x-ray diffraction · 3 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | — | protein | 478 | — | P47895 |
| C | — | protein | 479 | — | P47895 |
| D | — | protein | 478 | — | P47895 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 4 copies · chains A, B, C, D
- N98 · methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6TGW · Crystal structure of human Aldehyde dehydrogenase 1A3 in complex with a selective… · the same entry in another collection · chain D against D, 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 D 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 P47895
- Elsewhere: RCSB PDB 6TGW · PDBe 6TGW · UniProt P47895
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