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Ligand · SPA

SPA · Thiopheneacetic acid

SPA, Thiopheneacetic acid (C6 H6 O2 S, 142.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
SPA
Formula
C6 H6 O2 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

SPA in 4 structures; the first of them:

  • 1AJQ · Penicillin acylase complexed with thiopheneacetic acid · SPA B559 · binds MET142, PHE146, SER1, PRO22, GLN23, PHE24, SER67, THR68 and 4 more
  • 2ZQ9 · Cephalothin acyl-intermediate structure of class a beta-lactamase Toho-1… · SPA A21 · binds GLU96, ILE97, LYS98, ASN114, GLY115
  • 1AJQ · Penicillin acylase complexed with thiopheneacetic acid · SPA B559 · binds MET142, PHE146, SER1, PRO22, GLN23, PHE24, SER67, THR68 and 4 more
  • 2ZQ9 · Cephalothin acyl-intermediate structure of class a beta-lactamase toho-1… · SPA A21 · binds GLU96, ILE97, LYS98, ASN114, GLY115

Residues it binds most

PHE 2, ASN 4, ILE 4, SER 2, ALA 2, GLN 2, GLU 2, GLY 2, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

  • CEO · 5-methylene-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-5,6-dihydro-2H-[1,3]thiazine-4-carboxylic acid
  • CLS · Cephalothin
  • CA · Calcium ion
  • SO4 · Sulfate ion

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