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Structure paper

TitleStructural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides.
Journal, issue, pagesInt J Mol Sci, Vol. 23, Year 2022
Publish dateNov 11, 2022 (structure data deposition date)
AuthorsPang, L. / Lenders, S. / Osipov, E.M. / Weeks, S.D. / Rozenski, J. / Piller, T. / Cappoen, D. / Strelkov, S.V. / Van Aerschot, A.
External linksInt J Mol Sci / PubMed:36499418
MethodsX-ray diffraction
Resolution1.98 - 2.77 Å
Structure data

PDB-8hfm:
Crystal Structure of Mycobacterium smegmatis MshC
Method: X-RAY DIFFRACTION / Resolution: 2.41 Å

PDB-8hfn:
Crystal Structure of Mycobacterium smegmatis MshC in Complex with Compound 7b
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-8hfo:
Crystal Structure of Mycobacterium smegmatis MshC in Complex with Compound 7d
Method: X-RAY DIFFRACTION / Resolution: 2.77 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-XGC:
N-[(3M)-3-(6-methoxypyridin-3-yl)benzene-1-sulfonyl]-L-cysteinamide

ChemComp-XG8:
N-[(3M)-3-(thiophen-2-yl)benzene-1-sulfonyl]-L-cysteinamide

Source
  • mycolicibacterium smegmatis (bacteria)
  • mycolicibacterium smegmatis mc2 155 (bacteria)
KeywordsLIGASE / Rossmann fold / Inhibitor

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