MolNFT v1 · #105758 · protein

Crystal structure of udp-glucose: anthocyanidin 3-O- glucosyltransferase in complex with petunidin

4REN · Udp-GLUCOSE:ANTHOCYANIDIN 3-O-glucosyltransferase: “Crystal structure of udp-glucose: anthocyanidin 3-O- glucosyltransferase in complex with petunidin”. X-ray diffraction, 1 ligand (P5M), 3 pockets (best druggability 0.78). MolNFT…

PDB: 4REN
Type: protein
Length: 446 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Udp-GLUCOSE:ANTHOCYANIDIN 3-O-glucosyltransferase
EC: 2.4.1.115
UniProt: A4F1R4
Ligands: P5M
Pockets: 3 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Udp-GLUCOSE:ANTHOCYANIDIN 3-O-glucosyltransferase (EC 2.4.1.115)	protein	446	45% helix, 14% strand	A4F1R4

Ligands and binding sites

P5M · 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium · ligand · chains A
GOL · Glycerol · additive · 4 copies · chains A

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

Pockets

3 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	1082	0.78	0.80	101	P5M, GOL
2	74	0.31	0.74	17	empty
3	58	0.27	0.73	11	empty

Compared structures

4REN · Crystal structure of UDP-glucose: anthocyanidin 3-O-glucosyltransferase in complex with… · 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 A4F1R4
Elsewhere: RCSB PDB 4REN · PDBe 4REN · UniProt A4F1R4

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