2024-07-06_00000080
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ligand
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8PG8
Crystal structure of the metallo-beta-lactamase VIM1 with 2816;
X-ray diffraction 1.28Å
Protein #1
266 residues (87% resolved)
Raw Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Canonical Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Non polymer #2
YVC
InChI=1S/C25H27FN4O7S/c1-13(30-11-16(37-25(30)34)10-28-20(31)9-27)17-4-3-5-18-21(23(24(32)33)29-22(17)18)14-6-7-15(19(26)8-14)12-38(2,35)36/h3-8,13,16,29H,9-12,27H2,1-2H3,(H,28,31)(H,32,33)/t13-,16-/m0/s1
InChI=1S/C25H27FN4O7S/c1-13(30-11-16(37-25(30)34)10-28-20(31)9-27)17-4-3-5-18-21(23(24(32)33)29-22(17)18)14-6-7-15(19(26)8-14)12-38(2,35)36/h3-8,13,16,29H,9-12,27H2,1-2H3,(H,28,31)(H,32,33)/t13-,16-/m0/s1
SMILES: C[C@@H](c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)N4CC(OC4=O)CNC(=O)CN
C[C@@H](c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)N4CC(OC4=O)CNC(=O)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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