5KH5

Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) IN COMPLEX WITH ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide

Summary for 5KH5

• Entry DOI: 10.2210/pdb5kh5/pdb
• Related: 5KH2 5KH4
• Descriptor: Isoprenyl transferase, ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide (3 entities in total)
• Functional Keywords: upps, native, bacterial, undecaprenyl s. pneumoniae, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)
• Total number of polymer chains: 2
• Total formula weight: 62375.10

Authors

Concha, N.O. (deposition date: 2016-06-14, release date: 2016-07-20, Last modification date: 2024-03-06)

• Primary citation: Concha, N.,Huang, J.,Bai, X.,Benowitz, A.,Brady, P.,Grady, L.C.,Kryn, L.H.,Holmes, D.,Ingraham, K.,Jin, Q.,Pothier Kaushansky, L.,McCloskey, L.,Messer, J.A.,O'Keefe, H.,Patel, A.,Satz, A.L.,Sinnamon, R.H.,Schneck, J.,Skinner, S.R.,Summerfield, J.,Taylor, A.,Taylor, J.D.,Evindar, G.,Stavenger, R.A.; Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.; J.Med.Chem., 59:7299-7304, 2016; PubMed: 27379833; DOI: 10.1021/acs.jmedchem.6b00746

Experimental method

X-RAY DIFFRACTION (2.63 Å)