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MolNFT v1 · #114830 · protein

Crystal structure of abba + udp + di

5C1G · Histo-blood group abo system transferase: “Crystal structure of abba + udp + di”. X-ray diffraction, 3 ligands (DA8, GDU, MN), 3 pockets (best druggability 0.70). MolNFT v1 #114830 on GenesisL1: 3D structure, binding sites and…

PDB
5C1G
Type
protein
Length
291 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, GDU, MN
Pockets
3 · best druggability 0.70

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)protein29133% 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
  • GDU · Galactose-uridine-5'-diphosphate · ligand · chains A
  • MN · Manganese (II) ion · metal · chains A
  • PG0 · 2-(2-methoxyethoxy)ethanol · additive · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14110.700.8140MN, DA8, GDU
2910.410.7817empty
3720.320.7413empty

Compared structures

  • 5C1G · Crystal structure of ABBA + UDP + 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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