MolNFT v1 · #125222 · protein
Structure of ALDH1A1 in complex with BUC25
5L2N · Retinal dehydrogenase 1: “Structure of ALDH1A1 in complex with BUC25”. X-ray diffraction, 3 ligands (6ZU, YB, CL), 4 pockets (best druggability 0.75). MolNFT v1 #125222 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5L2N
- 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
- 6ZU, YB, CL
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Retinal dehydrogenase 1 (EC 1.2.1.-, 1.2.1.36) | protein | 494 | 41% helix, 21% strand | P00352 |
Ligands and binding sites
- 6ZU · 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate · ligand · chains A
- YB · Ytterbium (III) ion · metal
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 612 | 0.75 | 0.81 | 63 | 6ZU |
| 2 | 82 | 0.41 | 0.78 | 17 | empty |
| 3 | 50 | 0.40 | 0.82 | 16 | empty |
| 4 | 94 | 0.35 | 0.75 | 20 | 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 5L2N · PDBe 5L2N · UniProt P00352
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