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MolNFT v1 · #12049 · protein

1.53 a crystal structure of the beta-galactoside-alpha-1,3- galactosyltransferase in complex with udp

1K4V · N-acetyllactosaminide alpha-1,3-galactosyltransferase: “1.53 a crystal structure of the beta-galactoside-alpha-1,3- galactosyltransferase in complex with udp”. X-ray diffraction, 2 ligands (UDP, MN), 5 pockets (best druggability…

PDB
1K4V
Type
protein
Length
574 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
N-acetyllactosaminide alpha-1,3-galactosyltransferase
EC
2.4.1.151
UniProt
P14769
Ligands
UDP, MN
Pockets
5 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BN-acetyllactosaminide alpha-1,3-galactosyltransferase (EC 2.4.1.151)protein28738% helix, 20% strandP14769

Ligands and binding sites

  • UDP · Uridine-5'-diphosphate · ligand · 2 copies · chains A, B
  • MN · Manganese (II) ion · metal · 2 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13300.740.8645MN, UDP
23030.740.8639UDP
32130.620.8239empty
4890.360.7515empty
5700.290.7315empty

Interfaces

1 interface between chains.

  • A–B · 849 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 1K4V · 1.53 A Crystal Structure of the Beta-Galactoside-alpha-1,3-galactosyltransferase in… · the same entry in another collection · chain A against A, TM-score 1.00
  • P14769 · AlphaFold monomer V2.0 prediction for N-acetyllactosaminide… · a predicted model of the same protein · chain B against A, TM-score 1.00

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