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The crystal structure of a complex of campylobacter jejuni dutpase with substrate analogue dupnhpp

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PDB: 2CIC
Type: protein
Length: 223 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Deoxyuridine 5'-triphosphate nucleotide hydrolase
UniProt: Q9PMK9
Ligands: DUP, MG
Pockets: 2 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Deoxyuridine 5'-triphosphate nucleotide hydrolase	protein	223	67% helix, 3% strand	Q9PMK9

Ligands and binding sites

DUP · 2'-deoxyuridine 5'-alpha,beta-imido-triphosphate · ligand · chains A
MG · Magnesium ion · metal · 2 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	404	0.61	0.77	41	DUP, MG
2	64	0.33	0.76	11	empty

Compared structures

2CIC · The crystal structure of a complex of campylobacter jejuni dutpase with substrate… · 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 Q9PMK9
Elsewhere: RCSB PDB 2CIC · PDBe 2CIC · UniProt Q9PMK9

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