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Ligand · SA2

SA2 · (3R)-4-[(4-carboxybutanoyl)oxy]-N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valine

SA2, (3R)-4-[(4-carboxybutanoyl)oxy]-N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valine (C13 H19 N O9 S, 365.4 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5…

Component
SA2
Formula
C13 H19 N O9 S
Class
ligand
Structures
10
PDB entries
5

Binding sites

SA2 in 10 structures; the first of them:

  • 2H5S · SA2-13 penam sulfone complexed to wt SHV-1 beta-lactamase · SA2 A611 · binds MET69, SER70, LYS73, ASP104, TYR105, SER130, ASN132, GLU166 and 8 more
  • 3OPP · ESBL R164S mutant of SHV-1 beta-lactamase complexed with SA2-13 · SA2 A1 · binds MET69, SER70, LYS73, ASP104, TYR105, SER130, ASN132, VAL216 and 5 more
  • 3OPR · ESBL R164H mutant of SHV-1 beta-lactamase complexed to SA2-13 · SA2 A1 · binds MET69, SER70, LYS73, ASP104, TYR105, SER130, ASN132, VAL216 and 5 more
  • 3V50 · Complex of SHV S130G mutant beta-lactamase complexed to SA2-13 · SA2 A301 · binds MET69, SER70, LYS73, ASP104, TYR105, ALA126, GLY130, ASN132 and 7 more
  • 4MBK · Crystal structure of K234R inhibitor-resistant variant of SHV beta-lactamase in complex… · SA2 A303 · binds MET69, SER70, ASP104, TYR105, SER130, ASN132, GLU166, THR167 and 7 more
  • 2H5S · SA2-13 penam sulfone complexed to wt shv-1 beta-lactamase · SA2 A611 · binds MET69, SER70, LYS73, ASP104, TYR105, SER130, ASN132, GLU166 and 8 more
  • 3OPP · Esbl R164S mutant of shv-1 beta-lactamase complexed with SA2-13 · SA2 A1 · binds MET69, SER70, LYS73, ASP104, TYR105, SER130, ASN132, VAL216 and 5 more
  • 3OPR · Esbl R164H mutant of shv-1 beta-lactamase complexed to SA2-13 · SA2 A1 · binds MET69, SER70, LYS73, ASP104, TYR105, SER130, ASN132, VAL216 and 5 more
  • 3V50 · Complex of shv S130G mutant beta-lactamase complexed to SA2-13 · SA2 A301 · binds MET69, SER70, LYS73, ASP104, TYR105, ALA126, GLY130, ASN132 and 7 more
  • 4MBK · Crystal structure of K234R inhibitor-resistant variant of shv beta- lactamase in complex… · SA2 A303 · binds MET69, SER70, ASP104, TYR105, SER130, ASN132, GLU166, THR167 and 7 more

Residues it binds most

SER 10, ASN 10, LYS 8, THR 10, ALA 10, GLY 10, ARG 8, ASP 10, MET 10, TYR 10 (residue and the binding sites it lines).

Found with

  • MA4 · Cyclohexyl-hexyl-beta-D-maltoside

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