Research workbench
The high resolution structure of urocanate hydratase from pseudomonas putida in complex with urocanate
Analyse The high resolution structure of urocanate hydratase from pseudomonas putida in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 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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