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Ligands
Code Name Style Show Link
K Potassium ion
JSD [(1,2,3,4,5-eta)-1-(4-{[(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
JSC [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
JSE [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
Non-standard Residues
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Code : 4XXR   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/ANTIBIOTIC
Title : Atomic Resolution X-Ray Crystal Structure of a Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with CTX-M-14 E166A Beta-Lactamase
Release Data : 2015-03-18
Compound :
mol_id molecule chains
1 CTX-M-14 Class A Beta-Lactamase A,B
ec: 3.5.2.6
fragment: UNP residues 29-291
mutation: E166A
Source :
mol_id organism_scientific expression_system
1 Escherichia coli  (taxid:562) Escherichia coli  (taxid:562)
gene: blaCTX-M-14, beta-lactamase CTX-M-14, bla-CTX-M-14a, blaCTX-M-14a, blaCTX-M-14b, blaCTX-M-14c, blaCTX-M-27b, blatoho-3, blaUOE-2, CTX-M-14, ETN48_p0088, pCT_085, pHK01_011
Authors : Lewandowski, E.M., Chen, Y.
Keywords : Beta-Lactamase Organometallic Ruthenocene CTX-M-14, HYDROLASE-ANTIBIOTIC complex
Exp. method : X-RAY DIFFRACTION ( 1.18 Å )
Citation :

Antibacterial properties and atomic resolution X-ray complex crystal structure of a ruthenocene conjugated beta-lactam antibiotic.

Lewandowski, E.M.,Skiba, J.,Torelli, N.J.  et al.
(2015)  Chem.Commun.(Camb.)  51 : 6186 - 6189

PubMed: 25753149
DOI: 10.1039/c5cc00904a

Chain : A, B
UniProt : Q9L5C7 (Q9L5C7_ECOLX)
Reaction: EC: Evidence:
Physiological Direction:
a beta-lactam + H2O = a substituted beta-amino acid 3.5.2.6 ARBA:ARBA00001526, RuleBase:RU361140
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