MolNFT v1 · #25655 · protein
Inactive urocanase-sa cocrystallized with urocanate
1W1U · Urocanate hydratase: “Inactive urocanase-sa cocrystallized with urocanate”. X-ray diffraction, 2 ligands (NAD, URO), 5 pockets (best druggability 0.82). MolNFT v1 #25655 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1W1U
- Type
- protein
- Length
- 1,100 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Urocanate hydratase
- EC
- 4.2.1.49
- UniProt
- P25080
- Ligands
- NAD, URO
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Urocanate hydratase (EC 4.2.1.49) | protein | 550 | 44% helix, 15% strand | P25080 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- URO · (2E)-3-(1H-imidazol-4-yl)acrylic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 481 | 0.82 | 0.89 | 69 | NAD, URO |
| 2 | 489 | 0.80 | 0.87 | 61 | NAD, URO |
| 3 | 184 | 0.50 | 0.77 | 41 | empty |
| 4 | 119 | 0.42 | 0.76 | 25 | empty |
| 5 | 89 | 0.40 | 0.78 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 3156 Ų buried · 40 hydrogen bonds · protein-protein
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 P25080
- Elsewhere: RCSB PDB 1W1U · PDBe 1W1U · UniProt P25080
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