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Crystal structure of B. subtilis 168 glpq in complex with glycerol-3- phosphate (1 hour soak)

Analyse Crystal structure of B. subtilis 168 glpq in complex with glycerol-3- phosphate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5T9C
Type
protein
Length
263 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycerophosphoryl diester phosphodiesterase
EC
3.1.4.46
UniProt
P37965
Ligands
G3P, CA, NA, PO4
Pockets
1 · best druggability 0.38

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
EGlycerophosphoryl diester phosphodiesterase (EC 3.1.4.46)protein26340% helix, 17% strandP37965

Ligands and binding sites

  • G3P · Sn-glycerol-3-phosphate · ligand · chains E
  • CA · Calcium ion · metal · chains E
  • NA · Sodium ion · metal · chains E
  • PO4 · Phosphate ion · ion · chains E

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1760.380.7824empty

Compared structures

  • 5T9C · Crystal structure of B. subtilis 168 GlpQ in complex with glycerol-3-phosphate (1 hour… · the same entry in another collection · chain E against E, TM-score 1.00
  • P37965 · AlphaFold monomer V2.0 prediction for glycerophosphodiester phosphodiesterase (P37965) · a predicted model of the same protein · chain E against A, TM-score 1.00

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