MolNFT v1 · #40810 · protein
Crystal structure of a H121A escherichia COLI dctp deaminase mutant enzyme
2J4H · Deoxycytidine triphosphate deaminase: “Crystal structure of a H121A escherichia COLI dctp deaminase mutant enzyme”. X-ray diffraction, 2 ligands (YYY, MG), 2 pockets (best druggability 0.46). MolNFT v1 #40810 on GenesisL1: 3D…
- PDB
- 2J4H
- Type
- protein
- Length
- 346 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Deoxycytidine triphosphate deaminase
- EC
- 3.5.4.13
- UniProt
- P28248
- Ligands
- YYY, MG
- Pockets
- 2 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 17% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Deoxycytidine triphosphate deaminase (EC 3.5.4.13) | protein | 174 | 17% helix, 38% strand | P28248 |
| B | Deoxycytidine triphosphate deaminase (EC 3.5.4.13) | protein | 172 | 17% helix, 38% strand | P28248 |
Ligands and binding sites
- YYY · Deoxycytidine diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 152 | 0.46 | 0.75 | 24 | YYY |
| 2 | 127 | 0.41 | 0.75 | 24 | YYY |
Interfaces
1 interface between chains.
- A–B · 414 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 2J4H · Crystal structure of a H121A Escherichia coli dCTP deaminase mutant enzyme · the same entry in another collection · chain B against B, TM-score 1.00
- P28248 · AlphaFold monomer V2.0 prediction for dctp deaminase (P28248) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P28248
- Elsewhere: RCSB PDB 2J4H · PDBe 2J4H · UniProt P28248
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