6C9S

Mycobacterium tuberculosis adenosine kinase bound to (2R,3R,4S,5R)-2-(6-([1,1'-biphenyl]-4-ylethynyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

Summary for 6C9S

• Entry DOI: 10.2210/pdb6c9s/pdb
• Descriptor: Adenosine kinase, 6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purine, SULFATE ION, ... (5 entities in total)
• Functional Keywords: nucleoside analog, complex, inhibitor, structural genomics, psi-2, protein structure initiative, tb structural genomics consortium, tbsgc, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Mycobacterium tuberculosis
• Total number of polymer chains: 2
• Total formula weight: 70102.89

Authors

Crespo, R.A.,TB Structural Genomics Consortium (TBSGC) (deposition date: 2018-01-28, release date: 2019-05-01, Last modification date: 2023-10-04)

• Primary citation: Crespo, R.A.,Dang, Q.,Zhou, N.E.,Guthrie, L.M.,Snavely, T.C.,Dong, W.,Loesch, K.A.,Suzuki, T.,You, L.,Wang, W.,O'Malley, T.,Parish, T.,Olsen, D.B.,Sacchettini, J.C.; Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.; J.Med.Chem., 62:4483-4499, 2019; PubMed: 31002508; DOI: 10.1021/acs.jmedchem.9b00020

Experimental method

X-RAY DIFFRACTION (2.23 Å)