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MolNFT v1 · #110879 · protein

Crystal structure of glucosyl-3-phosphoglycerate synthase from mycobacterium tuberculosis in complex with MN2+, uridine-diphosphate- glucose (udp-glc) and phosphoglyceric acid (pga) - gpgs MN2+ udp-glc pga-3

4Y9X: “Crystal structure of glucosyl-3-phosphoglycerate synthase from mycobacterium tuberculosis in complex with…”. X-ray diffraction, 4 ligands (3PG, UPG, MN), 1 pocket (best druggability 0.76). MolNFT v1 #110879 on GenesisL1: 3D…

PDB
4Y9X
Type
protein
Length
280 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glucosyl-3-phosphoglycerate synthase
EC
2.4.1.266
UniProt
P9WMW9
Ligands
3PG, UPG, MN, CL
Pockets
1 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlucosyl-3-phosphoglycerate synthase (EC 2.4.1.266)protein28040% helix, 17% strandP9WMW9

Ligands and binding sites

  • 3PG · 3-phosphoglyceric acid · ligand · chains A
  • UPG · Uridine-5'-diphosphate-glucose · ligand · chains A
  • MN · Manganese (II) ion · metal · chains A
  • CL · Chloride ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15160.760.8453MN, 3PG, UPG

Compared structures

  • 4Y9X · Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis… · the same entry in another collection · chain A against A, TM-score 1.00
  • P9WMW9 · AlphaFold monomer V2.0 prediction for glucosyl-3-phosphoglycerate synthase (P9WMW9) · a predicted model of the same protein · chain A against A, TM-score 0.98

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