MolNFT v1 · #152611 · protein

A glycosyltransferase with udp and the substrate

6INH · Udp-glycosyltransferase 76G1: “A glycosyltransferase with udp and the substrate”. X-ray diffraction, 2 ligands (AQ9, UDP), 4 pockets (best druggability 0.82). MolNFT v1 #152611 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 6INH
Type: protein
Length: 450 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Udp-glycosyltransferase 76G1
EC: 2.4.1.-
UniProt: Q6VAB4
Ligands: AQ9, UDP
Pockets: 4 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Udp-glycosyltransferase 76G1 (EC 2.4.1.-)	protein	450	45% helix, 16% strand	Q6VAB4

Ligands and binding sites

AQ9 · 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose · ligand · 2 copies · chains A
UDP · Uridine-5'-diphosphate · ligand · chains A
GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

4 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	745	0.82	0.85	63	UDP, AQ9, GOL
2	99	0.46	0.80	15	empty
3	86	0.32	0.73	16	empty
4	57	0.28	0.74	17	empty

Compared structures

6INH · A glycosyltransferase with UDP and the substrate · the same entry in another collection · chain A against A, TM-score 1.00
Q6VAB4 · AlphaFold monomer V2.0 prediction for udp-glycosyltransferase 76G1 (Q6VAB4) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q6VAB4
Elsewhere: RCSB PDB 6INH · PDBe 6INH · UniProt Q6VAB4

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