MolNFT v1 · #102612 · protein
Streptomyces sp. GF3546 imine reductase
4OQY · (S)-imine reductase: “Streptomyces sp. GF3546 imine reductase”. X-ray diffraction, 1 ligand (NDP), 2 pockets (best druggability 0.72). MolNFT v1 #102612 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4OQY
- Type
- protein
- Length
- 542 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- (S)-imine reductase
- UniProt
- M4ZS15
- Ligands
- NDP
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 58% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | (S)-imine reductase | protein | 268 | 58% helix, 13% strand | M4ZS15 |
| B | (S)-imine reductase | protein | 274 | 58% helix, 12% strand | M4ZS15 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 793 | 0.72 | 0.77 | 65 | NDP |
| 2 | 541 | 0.71 | 0.80 | 55 | empty |
Interfaces
1 interface between chains.
- A–B · 3901 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 4OQY · Streptomyces sp. GF3546 imine reductase · the same entry in another collection · chain A 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 M4ZS15
- Elsewhere: RCSB PDB 4OQY · PDBe 4OQY · UniProt M4ZS15
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