Brand  (β version)

PDB ID: 6D1B

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Ligands
Code Name Style Show Link
ACT Acetate ion PoSSuM
FUJ [(7-methoxy-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 6D1B   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE inhibitor
Title : Crystal structure of NDM-1 complexed with compound 2
Release Data : 2019-04-17
Compound :
mol_id molecule chains synonym
1 Metallo-beta-lactamase type 2 A B2 metallo-beta-lactamase,Beta-lactamase type II,Metallo-beta-lactamase NDM-1,Metallo-beta-lactamase type II,New Delhi metallo-beta-lactamase-1,NDM-1
ec: 3.5.2.6
Source :
mol_id organism_scientific expression_system
1 Klebsiella pneumoniae  (taxid:573) Escherichia coli BL21(DE3)  (taxid:469008)
gene: blaNDM-1
Authors : Pemberton, O.A., Chen, Y.
Keywords : beta-lactamase, carbapenemase, phosphonate, inhibitor, HYDROLASE, HYDROLASE-HYDROLASE inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.2500 Å )
Citation :

Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.

Pemberton, O.A.,Jaishankar, P.,Akhtar, A.  et al.
(2019)  J.Med.Chem.  62 : 8480 - 8496

PubMed: 31483651
DOI: 10.1021/acs.jmedchem.9b00728

Reaction

Chain : A
UniProt : C7C422 (BLAN1_KLEPN)
Reaction: EC: Evidence:
Physiological Direction:
a beta-lactam + H2O = a substituted beta-amino acid 3.5.2.6 PubMed:19770275
-
Cofactor: Evidence: Note:
Zn(2+) ECO:0000269 | PubMed:22713171
ECO:0000269 | PubMed:25815530
Binds 2 Zn(2+) ions per subunit.