MolNFT v1 · #125221 · protein
Structure of ALDH1A1 in complex with BUC11
5L2M · Retinal dehydrogenase 1: “Structure of ALDH1A1 in complex with BUC11”. X-ray diffraction, 3 ligands (6ZY, YB, CL), 5 pockets (best druggability 0.69). MolNFT v1 #125221 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5L2M
- Type
- protein
- Length
- 494 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Retinal dehydrogenase 1
- EC
- 1.2.1.-, 1.2.1.36
- UniProt
- P00352
- Ligands
- 6ZY, YB, CL
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Retinal dehydrogenase 1 (EC 1.2.1.-, 1.2.1.36) | protein | 494 | 42% helix, 22% strand | P00352 |
Ligands and binding sites
- 6ZY · 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one · ligand · chains A
- YB · Ytterbium (III) ion · metal · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 315 | 0.69 | 0.83 | 31 | 6ZY |
| 2 | 300 | 0.62 | 0.79 | 34 | empty |
| 3 | 66 | 0.47 | 0.83 | 19 | empty |
| 4 | 80 | 0.40 | 0.78 | 17 | empty |
| 5 | 95 | 0.36 | 0.75 | 17 | empty |
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
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 P00352
- Elsewhere: RCSB PDB 5L2M · PDBe 5L2M · UniProt P00352
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.