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MolNFT v1 · #166562 · protein

Native E. COLI glyceraldehyde 3-phosphate dehydrogenase

6UTO · Glyceraldehyde-3-phosphate dehydrogenase: “Native E. COLI glyceraldehyde 3-phosphate dehydrogenase”. X-ray diffraction, 3 ligands (G3P, GLC, NA), 4 pockets (best druggability 0.62). MolNFT v1 #166562 on GenesisL1: 3D structure…

PDB
6UTO
Type
protein
Length
660 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glyceraldehyde-3-phosphate dehydrogenase
EC
1.2.1.-
UniProt
A0A0U4BD45
Ligands
G3P, GLC, NA
Pockets
4 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGlyceraldehyde-3-phosphate dehydrogenase (EC 1.2.1.-)protein33032% helix, 28% strandA0A0U4BD45

Ligands and binding sites

  • G3P · Sn-glycerol-3-phosphate · ligand · 2 copies · chains A, B
  • GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A, B
  • NA · Sodium ion · metal · chains A
  • ACT · Acetate ion · 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, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14900.620.7657empty
23940.600.7644empty
33290.540.7540empty
41230.380.7417empty

Interfaces

1 interface between chains.

  • A–B · 608 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 modified (engineered).

Compared structures

  • 6UTO · Native E. coli Glyceraldehyde 3-phosphate dehydrogenase · the same entry in another collection · chain A against A, TM-score 1.00

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