MolNFT v1 · #164756 · protein
Urocanate reductase in complex with urocanate
6T87: “Urocanate reductase in complex with urocanate”. X-ray diffraction, 5 ligands (FAD, URO, NA), 3 pockets (best druggability 0.82). MolNFT v1 #164756 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6T87
- Type
- protein
- Length
- 454 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Urocanate reductase
- EC
- 1.3.99.33
- UniProt
- Q8CVD0
- Ligands
- FAD, URO, NA, SO4, CL
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Urocanate reductase (EC 1.3.99.33) | protein | 454 | 37% helix, 24% strand | Q8CVD0 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- URO · (2E)-3-(1H-imidazol-4-yl)acrylic acid · ligand · chains A
- NA · Sodium ion · metal · chains A
- SO4 · Sulfate ion · ion · 4 copies · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 8 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 528 | 0.82 | 0.88 | 84 | FAD, URO, GOL, SO4 |
| 2 | 95 | 0.39 | 0.77 | 17 | empty |
| 3 | 64 | 0.27 | 0.73 | 18 | empty |
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 Q8CVD0
- Elsewhere: RCSB PDB 6T87 · PDBe 6T87 · UniProt Q8CVD0
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