MolNFT v1 · #24480 · protein
The high resolution structure of urocanate hydratase from pseudomonas putida in complex with urocanate
1UWK: “The high resolution structure of urocanate hydratase from pseudomonas putida in complex with urocanate”. X-ray diffraction, 2 ligands (NAD, URO), 6 pockets (best druggability 0.80). MolNFT v1 #24480 on GenesisL1: 3D structure…
- PDB
- 1UWK
- Type
- protein
- Length
- 1,107 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
- 6 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Urocanate hydratase (EC 4.2.1.49) | protein | 554 | 44% helix, 15% strand | P25080 |
| B | Urocanate hydratase (EC 4.2.1.49) | protein | 553 | 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 B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 461 | 0.80 | 0.88 | 60 | NAD, URO |
| 2 | 539 | 0.80 | 0.87 | 84 | URO, NAD |
| 3 | 128 | 0.45 | 0.77 | 26 | empty |
| 4 | 111 | 0.43 | 0.77 | 25 | empty |
| 5 | 102 | 0.43 | 0.78 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 3312 Ų buried · 42 hydrogen bonds · protein-protein
Compared structures
- 1UWK · The High Resolution Structure of Urocanate Hydratase from Pseudomonas putida in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- P25080 · AlphaFold monomer V2.0 prediction for urocanate hydratase (P25080) · a predicted model of the same protein · 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 P25080
- Elsewhere: RCSB PDB 1UWK · PDBe 1UWK · UniProt P25080
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