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Crystal structure of citrate synthase (glta) from pseudomonas aeruginosa

Analyse Crystal structure of citrate synthase (glta) from pseudomonas aeruginosa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6ZU0
Type
protein
Length
2,543 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Citrate synthase
EC
2.3.3.16
UniProt
P14165
Pockets
20 · best druggability 0.75

Structure

x-ray diffraction · 6 distinct chains · 54% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACitrate synthase (EC 2.3.3.16)protein42554% helix, 10% strandP14165
BCitrate synthase (EC 2.3.3.16)protein42454% helix, 10% strandP14165
CCitrate synthase (EC 2.3.3.16)protein42653% helix, 10% strandP14165
DCitrate synthase (EC 2.3.3.16)protein42453% helix, 10% strandP14165
ECitrate synthase (EC 2.3.3.16)protein42254% helix, 10% strandP14165
FCitrate synthase (EC 2.3.3.16)protein42255% helix, 9% strandP14165

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13340.750.8650empty
26540.730.8069empty
37010.720.7862empty
46220.720.7968empty
56620.710.7864empty

Interfaces

12 interfaces between chains.

  • A–B · 6081 Ų buried · 100 hydrogen bonds · protein-protein
  • C–D · 6011 Ų buried · 102 hydrogen bonds · protein-protein
  • E–F · 5832 Ų buried · 93 hydrogen bonds · protein-protein
  • B–C · 404 Ų buried · 6 hydrogen bonds · protein-protein
  • C–F · 398 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 6ZU0 · Crystal structure of citrate synthase (GltA) from Pseudomonas aeruginosa · the same entry in another collection · chain F against F, TM-score 1.00
  • P14165 · AlphaFold monomer V2.0 prediction for citrate synthase (P14165) · a predicted model of the same protein · chain D against A, TM-score 0.98

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