2025-01-18_00000352|ligand|9MCZ

Crystal structure of the transpeptidase domain of PBP2 from the Neisseria gonorrhoeae cephalosporin decreased susceptibility strain 35/02 in complex with boronate inhibitor VNRX-6884; X-ray diffraction 1.89Å
Protein #1 330 residues (98% resolved)

GSGGALSLDQRIQTLAYEELNKAVEYHQAKAGTVVVLDARTGEILALVNTPGRNRAVTDMIEPGSAMKPFTIAKALDSGKVDATDTFNTLPYKIGSATVQDTHVYPTLDVRGIMQKSSNVGTSKLSAMFTPKEMYDFYHDLGVGVRMHSGFPGETAGLLRSWRRWQKIEQATMSFGYGLQLSLLQLARAYTVLTHDGELLPVSFEKQAVAPKGKRVIKASTAKKVRELMVSVTEAGGTGTAGAVDGFDVGAKTGTARKLVNGRYVDYKHVATFIGFAPAKNPRVIVAVTIDEPTANGYYSGVVTGPVFKQVMGGSLNILGVSPTKPLTNV

GSGGALSLDQRIQTLAYEELNKAVEYHQAKAGTVVVLDARTGEILALVNTPGRNRAVTDMIEPGSAMKPFTIAKALDSGKVDATDTFNTLPYKIGSATVQDTHVYPTLDVRGIMQKSSNVGTSKLSAMFTPKEMYDFYHDLGVGVRMHSGFPGETAGLLRSWRRWQKIEQATMSFGYGLQLSLLQLARAYTVLTHDGELLPVSFEKQAVAPKGKRVIKASTAKKVRELMVSVTEAGGTGTAGAVDGFDVGAKTGTARKLVNGRYVDYKHVATFIGFAPAKNPRVIVAVTIDEPTANGYYSGVVTGPVFKQVMGGSLNILGVSPTKPLTNV
Non polymer #2 A1BJC

InChI=1S/C24H26BN4O11P/c1-2-28-10-11-29(22(32)21(28)31)24(35)27-18(13-6-8-15(9-7-13)41(37,38)39)20(30)26-17-12-14-4-3-5-16(23(33)34)19(14)40-25(17)36/h3-9,17-18,36H,2,10-12H2,1H3,(H,26,30)(H,27,35)(H,33,34)(H2,37,38,39)/t17-,18+/m0/s1

B1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)[C@@H](c3ccc(cc3)P(=O)(O)O)NC(=O)N4CCN(C(=O)C4=O)CC)O
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Reference