2024-06-22_00000087
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ligand
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8P9T
Crystal structure of the metallo-beta-lactamase VIM1 with 2483;
X-ray diffraction 1.20Å
Protein #1
266 residues (87% resolved)
Raw Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Canonical Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Non polymer #2
XCQ
InChI=1S/C23H25ClN2O6S/c1-13(32-19(27)7-4-10-25)16-5-3-6-17-20(22(23(28)29)26-21(16)17)14-8-9-15(18(24)11-14)12-33(2,30)31/h3,5-6,8-9,11,13,26H,4,7,10,12,25H2,1-2H3,(H,28,29)/t13-/m0/s1
InChI=1S/C23H25ClN2O6S/c1-13(32-19(27)7-4-10-25)16-5-3-6-17-20(22(23(28)29)26-21(16)17)14-8-9-15(18(24)11-14)12-33(2,30)31/h3,5-6,8-9,11,13,26H,4,7,10,12,25H2,1-2H3,(H,28,29)/t13-/m0/s1
SMILES: C[C@@H](c1cccc2c1[nH]c(c2c3ccc(c(c3)Cl)CS(=O)(=O)C)C(=O)O)OC(=O)CCCN
C[C@@H](c1cccc2c1[nH]c(c2c3ccc(c(c3)Cl)CS(=O)(=O)C)C(=O)O)OC(=O)CCCN
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Model
Reference
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