MolNFT v1 · #24582 · protein

C3 exoenzyme from clostridium botulinum, tetragonal form

1UZI · Mono-ADP-ribosyltransferase C3: “C3 exoenzyme from clostridium botulinum, tetragonal form”. X-ray diffraction, 2 ligands (V4O, VO4), 2 pockets (best druggability 0.52). MolNFT v1 #24582 on GenesisL1: 3D structure, binding sites and…

PDB: 1UZI
Type: protein
Length: 421 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mono-ADP-ribosyltransferase C3
EC: 2.4.2.30
UniProt: P15879
Ligands: V4O, VO4
Pockets: 2 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mono-ADP-ribosyltransferase C3 (EC 2.4.2.30)	protein	210	34% helix, 25% strand	P15879
B	Mono-ADP-ribosyltransferase C3 (EC 2.4.2.30)	protein	211	31% helix, 25% strand	P15879

Ligands and binding sites

V4O · Cyclo-tetrametavanadate · ligand · chains A, B
VO4 · Vanadate ion · ion · 3 copies · chains A, B
GOL · Glycerol · additive · 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	189	0.52	0.78	32	empty
2	191	0.50	0.77	32	empty

Compared structures

1UZI · C3 exoenzyme from clostridium botulinum, tetragonal form · 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 P15879
Elsewhere: RCSB PDB 1UZI · PDBe 1UZI · UniProt P15879

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