6C9V

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

Summary for 6C9V

Entry DOI	10.2210/pdb6c9v/pdb
Descriptor	Adenosine kinase, (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl]tetrahydrofuran-3,4-diol, SULFATE ION, ... (6 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	70162.99
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 Cited by PubMed: 31002508 DOI: 10.1021/acs.jmedchem.9b00020 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation