Ultrahigh resolution X-ray crystal structure of ruthenocene conjugated penicilloate and penilloate products in complex with ctx-M-14 E166A beta-lactamase

Structure

x-ray diffraction · 2 distinct chains.

Ligands and binding sites

• 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 · ligand · 3 copies · chains A, B
• 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 · ligand · 2 copies · chains A, B
• 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 · ligand · chains A
• K · Potassium ion · metal · 2 copies · chains A, B
• RU · Ruthenium ion · metal · chains A
• PO4 · Phosphate ion · ion · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

• 5VLE · Ultrahigh Resolution X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt H6UQI0
• Elsewhere: RCSB PDB 5VLE · PDBe 5VLE · UniProt H6UQI0