MolNFT v1 · #89303 · protein

Crystal structure of trypanosoma brucei dutpase with dump, MGF3- transition state analogue, and MG2+

4DLC · Deoxyuridine triphosphatase: “Crystal structure of trypanosoma brucei dutpase with dump, MGF3- transition state analogue, and MG2+”. X-ray diffraction, 3 ligands (UMP, MGF, MG), 2 pockets (best druggability 0.58). MolNFT v1 #89303…

PDB: 4DLC
Type: protein
Length: 222 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Deoxyuridine triphosphatase
EC: 3.6.1.23
UniProt: Q57ZH3
Ligands: UMP, MGF, MG
Pockets: 2 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Deoxyuridine triphosphatase (EC 3.6.1.23)	protein	222	65% helix, 2% strand	Q57ZH3

Ligands and binding sites

UMP · 2'-deoxyuridine 5'-monophosphate · ligand · chains A
MGF · Trifluoromagnesate · ligand · chains A
MG · Magnesium ion · metal · 3 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	265	0.58	0.78	26	UMP, MGF, MG
2	72	0.38	0.77	15	empty

Compared structures

4DLC · Crystal Structure of Trypanosoma brucei dUTPase with dUMP, MgF3- transition state… · 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 Q57ZH3
Elsewhere: RCSB PDB 4DLC · PDBe 4DLC · UniProt Q57ZH3

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