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MolNFT v1 · #8720 · protein

Active mutant (S215->C) of glucose 6-phosphate dehydrogenase from leuconostoc mesenteroides

1H93 · Glucose 6-phosphate 1-dehydrogenase: “Active mutant (S215->C) of glucose 6-phosphate dehydrogenase from leuconostoc mesenteroides”. X-ray diffraction, 1 ligand (CA), 5 pockets (best druggability 0.64). MolNFT v1 #8720 on GenesisL1…

PDB
1H93
Type
protein
Length
485 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glucose 6-phosphate 1-dehydrogenase
EC
1.1.1.49
UniProt
P11411
Ligands
CA
Pockets
5 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlucose 6-phosphate 1-dehydrogenase (EC 1.1.1.49)protein48540% helix, 20% strandP11411

Ligands and binding sites

  • CA · Calcium ion · metal · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13880.640.7843empty
21120.400.7619empty
3940.360.7516empty
4500.280.7513empty
5520.270.7315empty

Compared structures

  • 1H93 · Active mutant (S215->C) of glucose 6-phosphate dehydrogenase from leuconostoc… · the same entry in another collection · chain A against A, TM-score 1.00
  • P11411 · AlphaFold monomer V2.0 prediction for glucose-6-phosphate 1-dehydrogenase (P11411) · a predicted model of the same protein · chain A against A, TM-score 1.00

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