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Ligand · CBE

CBE · 2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

CBE, 2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide (C12 H13 N O2 S, 235.3 g/mol), in the MolNFT structures on GenesisL1: bound in 14 records (7 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
CBE
Formula
C12 H13 N O2 S
Class
ligand
Structures
14
PDB entries
7

Binding sites

CBE in 14 structures; the first of them:

  • 2FBW · Avian respiratory complex II with carboxin bound · CBE C202 · binds PRO169, SER170, TRP173, HIS216, ILE218, ILE27, TRP32, MET36 and 5 more
  • 2WDQ · E. coli succinate:qui oxidoreductase (SQR) with carboxin bound · CBE C1130 · binds PRO160, SER161, TRP163, TRP164, HIS207, ILE209, LEU15, PHE20 and 5 more
  • 2WP9 · Crystal structure of the E. coli succinate:qui oxidoreductase (SQR) SdhB His207Thr mutant · CBE C1130 · binds PRO160, SER161, TRP164, THR207, ILE209, LEU15, PHE20, SER27 and 4 more
  • 2WQY · Remodelling of carboxin binding to the Q-site of avian respiratory complex II · CBE C144 · binds PRO169, SER170, TRP173, HIS216, ILE218, ILE27, TRP32, MET36 and 5 more
  • 2WS3 · Crystal structure of the E. coli succinate:qui oxidoreductase (SQR) SdhD Tyr83Phe mutant · CBE C1129 · binds PRO160, SER161, TRP164, HIS207, ILE209, LEU15, PHE20, ALA24 and 5 more
  • 2WU2 · Crystal structure of the E. coli succinate:qui oxidoreductase (SQR) SdhC His84Met mutant · CBE C1131 · binds PRO160, SER161, TRP163, TRP164, HIS207, ILE209, LEU15, PHE20 and 5 more
  • 2WU5 · Crystal structure of the E. coli succinate:qui oxidoreductase (SQR) SdhD His71Met mutant · CBE C1130 · binds PRO160, SER161, TRP164, HIS207, ILE209, LEU15, PHE20, SER27 and 4 more
  • 2FBW · Avian respiratory complex II with carboxin bound · CBE C202 · binds PRO169, SER170, TRP173, HIS216, ILE218, ILE27, TRP32, MET36 and 5 more
  • 2WDQ · E. COLI SUCCINATE:QUINONE oxidoreductase (sqr) with carboxin bound · CBE C1130 · binds PRO160, SER161, TRP163, TRP164, HIS207, ILE209, LEU15, PHE20 and 5 more
  • 2WP9 · Crystal structure of the E. COLI SUCCINATE:QUINONE oxidoreductase (sqr) sdhb HIS207THR… · CBE C1130 · binds PRO160, SER161, TRP164, THR207, ILE209, LEU15, PHE20, SER27 and 4 more
  • 2WQY · Remodelling of carboxin binding to the Q-site of avian respiratory complex II · CBE C144 · binds PRO169, SER170, TRP173, HIS216, ILE218, ILE27, TRP32, MET36 and 5 more
  • 2WS3 · Crystal structure of the E. COLI SUCCINATE:QUINONE oxidoreductase (sqr) sdhd TYR83PHE… · CBE C1129 · binds PRO160, SER161, TRP164, HIS207, ILE209, LEU15, PHE20, ALA24 and 5 more
  • 2WU2 · Crystal structure of the E. COLI SUCCINATE:QUINONE oxidoreductase (sqr) sdhc HIS84MET… · CBE C1131 · binds PRO160, SER161, TRP163, TRP164, HIS207, ILE209, LEU15, PHE20 and 5 more
  • 2WU5 · Crystal structure of the E. COLI SUCCINATE:QUINONE oxidoreductase (sqr) sdhd HIS71MET… · CBE C1130 · binds PRO160, SER161, TRP164, HIS207, ILE209, LEU15, PHE20, SER27 and 4 more

Residues it binds most

ILE 38, SER 38, TRP 38, ARG 38, ASP 38, PRO 38, PHE 30, HIS 32, TYR 32, LEU 30 (residue and the binding sites it lines).

Found with

  • F3S · FE3-S4 cluster
  • FAD · Flavin-adenine dinucleotide
  • FES · Fe2/s2 (inorganic) cluster
  • HEM · Protoporphyrin IX containing Fe
  • SF4 · Iron/sulfur cluster
  • NA · Sodium ion
  • TEO · Malate like intermediate
  • UNL · Unknown ligand
  • K · Potassium ion
  • AZI · Azide ion
  • GOL · Glycerol
  • OAA · Oxaloacetate ion

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