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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 v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.3
Source: Methanocaldococcus jannaschii
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 · resolution 2.3 · 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.

Pocket	Volume (Å³)	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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