5U13

E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one

Summary for 5U13

• Entry DOI: 10.2210/pdb5u13/pdb
• Related: 5U0V 5U0W 5U0X 5U0Y 5U0Z 5U10 5U11 5U12 5U14
• Descriptor: Dihydropteroate synthase, 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one (3 entities in total)
• Functional Keywords: e. coli, dhps, complex, pterin site, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Escherichia coli O6:H1 (strain CFT073 / ATCC 700928 / UPEC)
• Total number of polymer chains: 2
• Total formula weight: 62255.16

Authors

Dennis, M.L.,Peat, T.S.,Swarbrick, J.D. (deposition date: 2016-11-27, release date: 2017-12-06, Last modification date: 2023-10-04)

• Primary citation: Dennis, M.L.,Lee, M.D.,Harjani, J.R.,Ahmed, M.,DeBono, A.J.,Pitcher, N.P.,Wang, Z.C.,Chhabra, S.,Barlow, N.,Rahmani, R.,Cleary, B.,Dolezal, O.,Hattarki, M.,Aurelio, L.,Shonberg, J.,Graham, B.,Peat, T.S.,Baell, J.B.,Swarbrick, J.D.; 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.; Chemistry, 24:1922-1930, 2018; PubMed: 29171692; DOI: 10.1002/chem.201704730

Experimental method

X-RAY DIFFRACTION (1.951 Å)