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Crystal structure of phosphoribosylaminoimidazole-succinocarboxamide synthase from ehrlichia chaffeensis at 1.8A resolution

Analyse Crystal structure of phosphoribosylaminoimidazole-succinocarboxamide synthase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3KRE
Type
protein
Length
237 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphoribosylaminoimidazole-succinocarboxamide synthase
EC
6.3.2.6
UniProt
Q2GHH2
Ligands
CL
Pockets
1 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphoribosylaminoimidazole-succinocarboxamide synthase (EC 6.3.2.6)protein23730% helix, 32% strandQ2GHH2

Ligands and binding sites

  • CL · Chloride ion · ion · 2 copies · chains A
  • EDO · 1,2-ethanediol · additive · 10 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
17030.780.8362CL, EDO

Compared structures

  • 3KRE · Crystal structure of phosphoribosylaminoimidazole-succinocarboxamide synthase from… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q2GHH2 · AlphaFold monomer V2.0 prediction for phosphoribosylaminoimidazole- succinocarboxamide… · a predicted model of the same protein · chain A against A, TM-score 0.99

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