3ZM5

CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR

Summary for 3ZM5

• Entry DOI: 10.2210/pdb3zm5/pdb
• Related: 3ZL8 3ZM6
• Descriptor: UDP-N-ACETYLMURAMOYL-TRIPEPTIDE--D-ALANYL-D-ALANINE LIGASE, 2,4-bis(chloranyl)-N-[3-cyano-6-[(4-hydroxyphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-5-morpholin-4-ylsulfonyl-benzamide (3 entities in total)
• Functional Keywords: ligase, peptidoglycan synthesis, adp-forming enzyme, cell wall, cell shape, cell cycle, cell divison, nucleotide-binding, atp-binding
• Biological source: STREPTOCOCCUS PNEUMONIAE R6
• Cellular location: Cytoplasm (By similarity): Q8DNV6
• Total number of polymer chains: 1
• Total formula weight: 52237.94

Authors

Hrast, M.,Turk, S.,Sosic, I.,Knez, D.,Randall, C.P.,Barreteau, H.,Contreras-Martel, C.,Dessen, A.,ONeill, A.J.,Mengin-Lecreulx, D.,Blanot, D.,Gobec, S. (deposition date: 2013-02-05, release date: 2013-07-03, Last modification date: 2023-12-20)

• Primary citation: Hrast, M.,Turk, S.,Sosic, I.,Knez, D.,Randall, C.P.,Barreteau, H.,Contreras-Martel, C.,Dessen, A.,O'Neill, A.J.,Mengin-Lecreulx, D.,Blanot, D.,Gobec, S.; Structure-Activity Relationships of New Cyanothiophene Inhibitors of the Essential Peptidoglycan Biosynthesis Enzyme Murf.; Eur.J.Med.Chem., 66C:32-, 2013; PubMed: 23786712; DOI: 10.1016/J.EJMECH.2013.05.013

Experimental method

X-RAY DIFFRACTION (2.94 Å)