6VSF

Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4-oxobutanoic acid(fragment 16)

Summary for 6VSF

• Entry DOI: 10.2210/pdb6vsf/pdb
• Descriptor: Dihydrofolate reductase, 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid, COBALT (II) ION, ... (7 entities in total)
• Functional Keywords: folate pathway, biosynthetic protein
• Biological source: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
• Total number of polymer chains: 2
• Total formula weight: 38611.10

Authors

Ribeiro, J.A.,Dias, M.V.B. (deposition date: 2020-02-11, release date: 2020-07-15, Last modification date: 2023-10-11)

• Primary citation: Ribeiro, J.A.,Hammer, A.,Libreros-Zuniga, G.A.,Chavez-Pacheco, S.M.,Tyrakis, P.,de Oliveira, G.S.,Kirkman, T.,El Bakali, J.,Rocco, S.A.,Sforca, M.L.,Parise-Filho, R.,Coyne, A.G.,Blundell, T.L.,Abell, C.,Dias, M.V.B.; Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.; Acs Infect Dis., 6:2192-2201, 2020; PubMed: 32603583; DOI: 10.1021/acsinfecdis.0c00263

Experimental method

X-RAY DIFFRACTION (2.012 Å)