2024-06-22_00000105
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ligand
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8PAN
Crystal structure of the metallo-beta-lactamase VIM1 with 2653;
X-ray diffraction 1.25Å
Protein #1
266 residues (87% resolved)
Raw Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Canonical Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Non polymer #2
XZL
InChI=1S/C26H25FN2O5S/c1-15(34-19-10-6-16(13-28)7-11-19)20-4-3-5-21-23(25(26(30)31)29-24(20)21)17-8-9-18(22(27)12-17)14-35(2,32)33/h3-12,15,29H,13-14,28H2,1-2H3,(H,30,31)/t15-/m0/s1
InChI=1S/C26H25FN2O5S/c1-15(34-19-10-6-16(13-28)7-11-19)20-4-3-5-21-23(25(26(30)31)29-24(20)21)17-8-9-18(22(27)12-17)14-35(2,32)33/h3-12,15,29H,13-14,28H2,1-2H3,(H,30,31)/t15-/m0/s1
SMILES: C[C@@H](c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)Oc4ccc(cc4)CN
C[C@@H](c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)Oc4ccc(cc4)CN
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
Download coordinates
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Model
Reference
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