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Ligand · SXA

SXA · Thioacetic acid S-{2-[3-(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butyrylamino)-propionylamino]-ethyl} ester

SXA, Thioacetic acid S-{2-[3-(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butyrylamino)-propionylamino]-ethyl} ester (C13 H25 N2 O8 P S, 400.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site…

Component
SXA
Formula
C13 H25 N2 O8 P S
Class
ligand
Structures
2
PDB entries
2

Binding sites

SXA in 2 structures; the first of them:

  • 6X3C · Crystal structure of streptogramin a acetyltransferase vata from staphylococcus aureus in… · SXA A301 · binds ASP44, SER73, GLY75, PRO76, TRP126, ILE127, GLY128, ARG129 and 10 more
  • 6X3J · Crystal structure of streptogramin a acetyltransferase vata from staphylococcus aureus in… · SXA A403 · binds SER73, GLY75, PRO76, TRP126, ILE127, GLY128, ARG129, ILE144 and 9 more

Residues it binds most

ALA 12, GLY 12, ILE 12, MET 11, ARG 12, HIS 12, TRP 12, TYR 11, ASN 11, LYS 10 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • CL · Chloride ion
  • PO4 · Phosphate ion
  • O7S · (3r,4r,5e,10e,12e,14s,16r,26ar)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9, 14,15,16,17,24,25,26,26A-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-C][1,8,4, 19]dioxadiazacyclotetracosine-1,7,22-trione
  • O7V · (2R)-2-[(3s,4r,5e,10e,12e,14s,16r,26ar)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16, 17,24,25,26,26A-dodecahydro-1H,3H,22H-21,18-(azeno) pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
  • SO4 · Sulfate ion

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