MolNFT v1 · #89410 · protein

Structures of vaccinia virus uracil-DNA glycosylase in new crystal forms

4DOF: “Structures of vaccinia virus uracil-DNA glycosylase in new crystal forms”. X-ray diffraction, 12 pockets (best druggability 0.83). MolNFT v1 #89410 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4DOF
Type: protein
Length: 872 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Uracil-DNA glycosylase
EC: 3.2.2.27
UniProt: Q91UM2
Pockets: 12 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Uracil-DNA glycosylase (EC 3.2.2.27)	protein	218	38% helix, 17% strand	Q91UM2

Pockets

12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	915	0.83	0.85	83	empty
2	147	0.56	0.82	25	empty
3	178	0.54	0.79	30	empty
4	104	0.51	0.82	26	empty
5	87	0.50	0.83	16	empty

Interfaces

6 interfaces between chains.

C–D · 669 Å² buried · 4 hydrogen bonds · protein-protein
A–B · 547 Å² buried · 0 hydrogen bonds · protein-protein
B–C · 275 Å² buried · 2 hydrogen bonds · protein-protein
A–D · 242 Å² buried · 7 hydrogen bonds · protein-protein
A–C · 229 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

4DOF · Structures of Vaccinia Virus Uracil-DNA Glycosylase in New Crystal Forms · 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 Q91UM2
Elsewhere: RCSB PDB 4DOF · PDBe 4DOF · UniProt Q91UM2

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