8I8F

Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed compound 1

Summary for 8I8F

• Entry DOI: 10.2210/pdb8i8f/pdb
• Descriptor: Metallo beta lactamase NDM-1, ZINC ION, (2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid, ... (4 entities in total)
• Functional Keywords: penicillin, hydrolase-inhibitor complex, hydrolase-inhibitor
• Biological source: Klebsiella pneumoniae
• Total number of polymer chains: 2
• Total formula weight: 58153.42

Authors

Shi, X.,Liu, W. (deposition date: 2023-02-04, release date: 2024-02-07, Last modification date: 2024-02-28)

• Primary citation: Shi, X.,Dai, Y.,Lan, Z.,Wang, S.,Cui, L.,Xiao, C.,Zhao, K.,Li, X.,Liu, W.,Zhang, Q.; Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.; Int.J.Biol.Macromol., 262:130041-130041, 2024; PubMed: 38336327; DOI: 10.1016/j.ijbiomac.2024.130041

Experimental method

X-RAY DIFFRACTION (1.89 Å)