MolNFT v1 · #67857 · protein
Crystal structure of Y116T mutant of 5-hydroxyisourate hydrolase (TRP)
3IWV: “Crystal structure of Y116T mutant of 5-hydroxyisourate hydrolase (TRP)”. X-ray diffraction, 2 pockets (best druggability 0.77). MolNFT v1 #67857 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3IWV
- Type
- protein
- Length
- 461 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5-hydroxyisourate hydrolase
- EC
- 3.5.2.17
- UniProt
- Q06S87
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 5-hydroxyisourate hydrolase (EC 3.5.2.17) | protein | 113 | 6% helix, 42% strand | Q06S87 |
| B, C | 5-hydroxyisourate hydrolase (EC 3.5.2.17) | protein | 117 | 5% helix, 42% strand | Q06S87 |
| D | 5-hydroxyisourate hydrolase (EC 3.5.2.17) | protein | 114 | 6% helix, 41% strand | Q06S87 |
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 | 382 | 0.77 | 0.87 | 62 | empty |
| 2 | 224 | 0.65 | 0.84 | 43 | empty |
Interfaces
6 interfaces between chains.
- A–B · 933 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 929 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 380 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 341 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 303 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3IWV · Crystal structure of Y116T mutant of 5-HYDROXYISOURATE HYDROLASE (TRP) · the same entry in another collection · chain A against A, TM-score 1.00
- Q06S87 · AlphaFold monomer V2.0 prediction for 5-hydroxyisourate hydrolase (Q06S87) · a predicted model of the same protein · chain D against A, TM-score 0.99
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 Q06S87
- Elsewhere: RCSB PDB 3IWV · PDBe 3IWV · UniProt Q06S87
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