2024-06-22_00000097|ligand|8PAA

Crystal structure of the metallo-beta-lactamase VIM1 with 2552; X-ray diffraction 1.10Å
Protein #1 266 residues (87% resolved)

MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE

MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Non polymer #2 XO0

InChI=1S/C37H32N4O7/c1-22(48-37(46)24-11-9-23(10-12-24)20-41-34(42)28-5-2-3-6-29(28)35(41)43)27-7-4-8-30-31(33(36(44)45)39-32(27)30)25-13-14-26(38-19-25)21-40-15-17-47-18-16-40/h2-14,19,22,39H,15-18,20-21H2,1H3,(H,44,45)/t22-/m0/s1

C[C@@H](c1cccc2c1[nH]c(c2c3ccc(nc3)CN4CCOCC4)C(=O)O)OC(=O)c5ccc(cc5)CN6C(=O)c7ccccc7C6=O
Non polymer #3 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference