MolNFT v1 · #108799 · protein
Crystal structure of E47Q mutant cytidine deaminase from mycobacterium tuberculosis (mtcda E47Q)
4WIF: “Crystal structure of E47Q mutant cytidine deaminase from mycobacterium tuberculosis (mtcda E47Q)”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.34). MolNFT v1 #108799 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4WIF
- Type
- protein
- Length
- 243 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytidine deaminase
- EC
- 3.5.4.5
- UniProt
- P9WPH2
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.34
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytidine deaminase (EC 3.5.4.5) | protein | 122 | 35% helix, 23% strand | P9WPH2 |
| B | Cytidine deaminase (EC 3.5.4.5) | protein | 121 | 34% helix, 23% strand | P9WPH2 |
Ligands and binding sites
- 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 57 | 0.34 | 0.78 | 19 | empty |
| 2 | 54 | 0.29 | 0.74 | 16 | empty |
| 3 | 55 | 0.28 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1137 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4WIF · Crystal structure of E47Q mutant cytidine deaminase from Mycobacterium tuberculosis… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WPH2 · AlphaFold monomer V2.0 prediction for cytidine deaminase (P9WPH2) · a predicted model of the same protein · chain B 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 P9WPH2
- Elsewhere: RCSB PDB 4WIF · PDBe 4WIF · UniProt P9WPH2
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