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MolNFT v1 · #114925 · protein

Crystal structure of gta + udp-glc + di

5C4B · Histo-blood group abo system transferase: “Crystal structure of gta + udp-glc + di”. X-ray diffraction, 3 ligands (DA8, UPG, MN), 4 pockets (best druggability 0.62). MolNFT v1 #114925 on GenesisL1: 3D structure, binding sites and…

PDB
5C4B
Type
protein
Length
288 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histo-blood group abo system transferase
EC
2.4.1.40, 2.4.1.37
UniProt
P16442
Ligands
DA8, UPG, MN
Pockets
4 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHisto-blood group abo system transferase (EC 2.4.1.40, 2.4.1.37)protein28833% helix, 19% strandP16442

Ligands and binding sites

  • DA8 · octyl 3-deoxy-2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-xylo-hexopyranoside · ligand · chains A
  • UPG · Uridine-5'-diphosphate-glucose · ligand · chains A
  • MN · Manganese (II) ion · metal · chains A
  • PGE · Triethylene glycol · additive · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13030.620.7933MN, DA8, UPG
21160.480.8016empty
3540.360.7814empty
4560.300.7513empty

Compared structures

  • 5C4B · Crystal structure of GTA + UDP-Glc + DI · the same entry in another collection · chain A against A, TM-score 1.00
  • P16442 · AlphaFold monomer V2.0 prediction for histo-blood group abo system transferase (P16442) · a predicted model of the same protein · chain A against A, TM-score 0.99

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