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Ligand · Q4K

Q4K · ethyl (2~{S},3~{R})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate

Q4K, ethyl (2~{S},3~{R})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate (C10 H11 Br F N O3, 292.1 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within…

Component
Q4K
Formula
C10 H11 Br F N O3
Class
ligand
Structures
3
PDB entries
2

Binding sites

Q4K in 3 structures; the first of them:

  • 5SO4 · PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa… · Q4K A501 · binds MET173, ARG176, PHE261, GLY262, MET263, SER264, ASN286, GLU99 and 6 more
  • 6Z0Q · Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex… · Q4K A301 · binds ALA12, SER13, GLY14, ARG17, GLU18, LEU19, PHE29, MET95 and 5 more
  • 6Z0Q · Crystal structure of saicar synthetase (purc) from mycobacterium abscessus in complex… · Q4K A301 · binds ALA12, SER13, GLY14, ARG17, GLU18, LEU19, PHE29, MET95 and 3 more

Residues it binds most

GLU 3, ILE 1, GLY 4, ARG 4, LEU 3, SER 4, MET 3, PHE 4, ASN 2, ALA 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • PO4 · Phosphate ion
  • DMS · Dimethyl sulfoxide

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