KJK · (3~{R})-3-[2-[4-(2-azanylethylamino) cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid

Binding sites

KJK in 6 structures; the first of them:

• 6RTN · Crystal structure of OXA-10 with VNRX-5133 · KJK A506 · binds ALA66, SER67, KCX70, MET99, TRP102, SER115, VAL117, LEU155 and 7 more
• 6TD1 · Crystal structure of VNRX-5133 (taniborbactam) bound to KPC-2 · KJK A402 · binds CYS69, SER70, LYS73, TRP105, SER130, ASN132, LEU167, ASN170 and 8 more
• 6RTN · Crystal structure of oxa-10 with vnrx-5133 · KJK A506 · binds ALA66, SER67, KCX70, TRP102, SER115, VAL117, LYS205, THR206 and 5 more
• 6SP6 · Ultra-high resolution crystal structure of the ctx-M-15 extended- spectrum beta-lactamase… · KJK A306 · binds CYS69, SER70, ASN104, TYR105, SER130, ASN132, ASN170, LYS234 and 3 more
• 6TD1 · Crystal structure of vnrx-5133 (taniborbactam) bound to kpc-2 · KJK A402 · binds CYS69, SER70, LYS73, TRP105, SER130, ASN132, LEU167, ASN170 and 6 more
• 6YEN · Crystal structure of ampc from E. COLI with taniborbactam (vnrx-5133) · KJK A401 · binds GLY63, SER64, LYS67, GLN120, TYR150, ASN152, TYR221, ASN289 and 7 more

Residues it binds most

SER 8, GLY 8, THR 8, LYS 8, ASN 4, ARG 6, TRP 6, ALA 5, CYS 3, LEU 5 (residue and the binding sites it lines).

Found with

• CL · Chloride ion
• SO4 · Sulfate ion
• EDO · 1,2-ethanediol
• GOL · Glycerol
• K9K · (10AR)-2-(((1R,4R)-4-((2-aminoethyl)amino)cyclohexyl) methyl)-6-carboxy-4-hydroxy-4,10A-dihydro-10H-benzo[5, 6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide
• NA · Sodium ion
• ZN · Zinc ion
• MES · 2-(N-morpholino)-ethanesulfonic acid
• PEG · Di(hydroxyethyl)ether
• PGE · Triethylene glycol