6XBF

Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1G

Summary for 6XBF

• Entry DOI: 10.2210/pdb6xbf/pdb
• Related: 6XBE
• Related PRD ID: PRD_002398
• Descriptor: BlaNDM-4_1_JQ348841, macrocycle inhibitor NDM1i-1G, ZINC ION, ... (4 entities in total)
• Functional Keywords: cyclic peptide, macrocycle inhibitor, antibiotic, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Klebsiella pneumoniae; More
• Total number of polymer chains: 8
• Total formula weight: 109820.16

Authors

Worrall, L.J.,Sun, T.,Mulligan, V.K.,Strynadka, N.C.J. (deposition date: 2020-06-05, release date: 2021-03-31, Last modification date: 2023-10-18)

• Primary citation: Mulligan, V.K.,Workman, S.,Sun, T.,Rettie, S.,Li, X.,Worrall, L.J.,Craven, T.W.,King, D.T.,Hosseinzadeh, P.,Watkins, A.M.,Renfrew, P.D.,Guffy, S.,Labonte, J.W.,Moretti, R.,Bonneau, R.,Strynadka, N.C.J.,Baker, D.; Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.; Proc.Natl.Acad.Sci.USA, 118:-, 2021; PubMed: 33723038; DOI: 10.1073/pnas.2012800118

Experimental method

X-RAY DIFFRACTION (2.2 Å)