6XCI

Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-3D

Summary for 6XCI

• Entry DOI: 10.2210/pdb6xci/pdb
• Related: 6XBE 6XBF
• Related PRD ID: PRD_002399
• Descriptor: BlaNDM-4_1_JQ348841, Macrocycle NDM1i-3D, ACETATE ION, ... (6 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: 3
• Total formula weight: 54161.88

Authors

Worrall, L.J.,Sun, T.,Mulligan, V.K.,Strynadka, N.C.J. (deposition date: 2020-06-08, release date: 2021-03-31, Last modification date: 2023-11-15)

• 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 (1.6 Å)