Research workbench
Bifunctional dctp deaminase-dutpase mutant enzyme variant E145A from methanocaldococcus jannaschii in complex with ALPHA,BETA-imido dutp and magnesium
Analyse Bifunctional dctp deaminase-dutpase mutant enzyme variant E145A from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2HXD
- Type
- protein
- Length
- 199 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dctp deaminase, dump-forming
- EC
- 3.5.4.30
- UniProt
- Q57872
- Ligands
- DUP, MG
- Pockets
- 1 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 17% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dctp deaminase, dump-forming (EC 3.5.4.30) | protein | 199 | 17% helix, 37% strand | Q57872 |
Ligands and binding sites
- DUP · 2'-deoxyuridine 5'-alpha,beta-imido-triphosphate · ligand · chains A
- MG · Magnesium ion · metal
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 286 | 0.58 | 0.77 | 32 | DUP |
Compared structures
- 2HXD · Bifunctional dCTP deaminase-dUTPase mutant enzyme variant E145A from Methanocaldococcus… · the same entry in another collection · chain A against A, TM-score 1.00
- Q57872 · AlphaFold monomer V2.0 prediction for dctp deaminase, dump-forming (Q57872) · a predicted model of the same protein · 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 Q57872
- Elsewhere: RCSB PDB 2HXD · PDBe 2HXD · UniProt Q57872
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