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Crystal structure of the N-terminal domain of pqsa in complex with anthraniloyl-AMP (crystal form 1)

Analyse Crystal structure of the N-terminal domain of pqsa in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5OE3
Type
protein
Length
1,574 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q9I4X3
Ligands
3UK

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C—protein394—Q9I4X3
B, D—protein393—Q9I4X3

Ligands and binding sites

  • 3UK · 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine · ligand · 4 copies · chains A, B, C, D
  • EDO · 1,2-ethanediol · additive · 12 copies · chains A, B, D
  • PEG · Di(hydroxyethyl)ether · additive · 9 copies · chains A, B, C, D
  • ACT · Acetate ion · additive · chains B
  • PGE · Triethylene glycol · additive · chains D

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

Compared structures

  • 5OE3 · Crystal structure of the N-terminal domain of PqsA in complex with anthraniloyl-AMP… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9I4X3 · AlphaFold monomer V2.0 prediction for anthranilate--CoA ligase (Q9I4X3) · a predicted model of the same protein · chain A against A, TM-score 0.99

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