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Crystal structure of HddC from Yersinia pseudotuberculosis complexed with GMP-PN

Analyse Crystal structure of HddC from Yersinia pseudotuberculosis complexed with GMP-PN in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6JQ8
Type
protein
Length
225 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.546
Source
Yersinia pseudotuberculosis
Molecule
Putative 6-deoxy-D-mannoheptose pathway protein
UniProt
Q8GJ95
Ligands
GNH, MG
Pockets
1 · best druggability 0.61

Structure

x-ray diffraction · resolution 1.546 · 1 distinct chain · 27% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative 6-deoxy-D-mannoheptose pathway proteinprotein22527% helix, 33% strandQ8GJ95

Ligands and binding sites

  • GNH · Aminophosphonic acid-guanylate ester · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • CIT · Citric acid · additive · 2 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
13860.610.7746MG, GNH, CIT

Compared structures

  • 6JQ8 · Crystal structure of hddc from yersinia pseudotuberculosis complexed with gmp-pn · the same entry in another collection · chain A against A, TM-score 1.00

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