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MolNFT v1 · #155884 · protein

Crystal structure of fagopyrum esculentum M UGT708C1

6LLG · Udp-glycosyltransferase 708C1: “Crystal structure of fagopyrum esculentum M UGT708C1”. X-ray diffraction, 2 ligands (BEN, SO4), 10 pockets (best druggability 0.82). MolNFT v1 #155884 on GenesisL1: 3D structure, binding sites and…

PDB
6LLG
Type
protein
Length
870 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Udp-glycosyltransferase 708C1
EC
2.4.1.-
UniProt
A0A0A1HA03
Ligands
BEN, SO4
Pockets
10 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUdp-glycosyltransferase 708C1 (EC 2.4.1.-)protein43648% helix, 14% strandA0A0A1HA03
BUdp-glycosyltransferase 708C1 (EC 2.4.1.-)protein43447% helix, 15% strandA0A0A1HA03

Ligands and binding sites

  • BEN · Benzamidine · ligand · chains B
  • SO4 · Sulfate ion · ion · 5 copies · chains A, B

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

Pockets

10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111110.820.8390empty
210970.820.8391SO4
35800.690.7851empty
4560.500.8616empty
5520.450.8414empty

Interfaces

1 interface between chains.

  • A–B · 345 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 6LLG · Crystal Structure of Fagopyrum esculentum M UGT708C1 · the same entry in another collection · chain A against A, TM-score 1.00

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