MolNFT v1 · #69945 · protein
Xenobiotic reductase a - coumarin bound
3L5M: “Xenobiotic reductase a - coumarin bound”. X-ray diffraction, 3 ligands (COU, FMN, SO4), 2 pockets (best druggability 0.71). MolNFT v1 #69945 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3L5M
- Type
- protein
- Length
- 359 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Xenobiotic reductase a
- EC
- 1.6.99.1
- Ligands
- COU, FMN, SO4
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Xenobiotic reductase a (EC 1.6.99.1) | protein | 359 | 40% helix, 17% strand | — |
Ligands and binding sites
- COU · Coumarin · ligand · 2 copies · chains A
- FMN · Flavin mononucleotide · ligand · chains A
- SO4 · Sulfate ion · ion · 6 copies · chains A
- BU3 · (R,R)-2,3-butanediol · additive · 3 copies · 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 | 512 | 0.71 | 0.80 | 47 | BU3, FMN, COU |
| 2 | 58 | 0.51 | 0.87 | 16 | BU3 |
Compared structures
- 3L5M · Xenobiotic reductase A - coumarin bound · 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
- Elsewhere: RCSB PDB 3L5M · PDBe 3L5M
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