MolNFT v1 · #94274 · protein
Identification of function and mechanistic insights of guanine deaminase from nitrosomonas europaea
4HRW · Cytidine and deoxycytidylate deaminase zinc-binding region: “Identification of function and mechanistic insights of guanine deaminase from nitrosomonas europaea”. X-ray diffraction, 2 ligands (AZG, ZN), 3 pockets (best druggability…
- PDB
- 4HRW
- Type
- protein
- Length
- 371 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytidine and deoxycytidylate deaminase zinc-binding region
- UniProt
- Q82Y41
- Ligands
- AZG, ZN
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytidine and deoxycytidylate deaminase zinc-binding region | protein | 189 | 40% helix, 19% strand | Q82Y41 |
| B | Cytidine and deoxycytidylate deaminase zinc-binding region | protein | 182 | 40% helix, 19% strand | Q82Y41 |
Ligands and binding sites
- AZG · 5-amino-1H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol · ligand · chains B
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 173 | 0.63 | 0.84 | 32 | AZG |
| 2 | 191 | 0.61 | 0.82 | 33 | ZN |
| 3 | 58 | 0.32 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1928 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4HRW · Identification of function and Mechanistic insights of Guanine deaminase from… · the same entry in another collection · 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 Q82Y41
- Elsewhere: RCSB PDB 4HRW · PDBe 4HRW · UniProt Q82Y41
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