MolNFT v1 · #87266 · protein
Cyanuric acid hydrolase: evolutionary innovation by structural concatenation.
4BVQ · Cyanuric acid amidohydrolase: “Cyanuric acid hydrolase: evolutionary innovation by structural concatenation.”. X-ray diffraction, 2 ligands (MG, PO4), 5 pockets (best druggability 0.55). MolNFT v1 #87266 on GenesisL1: 3D structure…
- PDB
- 4BVQ
- Type
- protein
- Length
- 728 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyanuric acid amidohydrolase
- EC
- 3.5.2.15
- UniProt
- P58329
- Ligands
- MG, PO4
- Pockets
- 5 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cyanuric acid amidohydrolase (EC 3.5.2.15) | protein | 364 | 35% helix, 26% strand | P58329 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 4 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 171 | 0.55 | 0.80 | 30 | empty |
| 2 | 173 | 0.55 | 0.80 | 33 | empty |
| 3 | 64 | 0.48 | 0.84 | 17 | empty |
| 4 | 73 | 0.46 | 0.82 | 19 | empty |
| 5 | 78 | 0.34 | 0.76 | 23 | PEG |
Interfaces
1 interface between chains.
- A–B · 1375 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 4BVQ · Cyanuric acid hydrolase: evolutionary innovation by structural concatenation. · the same entry in another collection · chain A against A, TM-score 1.00
- P58329 · AlphaFold monomer V2.0 prediction for cyanuric acid amidohydrolase (P58329) · a predicted model of the same protein · chain B 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 P58329
- Elsewhere: RCSB PDB 4BVQ · PDBe 4BVQ · UniProt P58329
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