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X-ray crystal structure of citrate synthase from burkholderia thailandensis

Analyse X-ray crystal structure of citrate synthase from burkholderia thailandensis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4XGH
Type
protein
Length
390 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Citrate synthase
UniProt
Q2T7I5
Ligands
SO4
Pockets
4 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACitrate synthaseprotein39053% helix, 6% strandQ2T7I5

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 6 copies · 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19690.720.7660empty
21480.450.7630empty
3740.440.8122SO4, EDO
4520.290.7520empty

Compared structures

  • 4XGH · X-ray Crystal Structure of Citrate Synthase from Burkholderia thailandensis · the same entry in another collection · chain A against A, TM-score 1.00

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