2024-07-06_00000076
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ligand
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8PG4
Crystal structure of the metallo-beta-lactamase VIM1 with 2730;
X-ray diffraction 1.38Å
Protein #1
266 residues (87% resolved)
Raw Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Canonical Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Non polymer #2
YTO
InChI=1S/C22H21FN4O5S/c1-12(32-10-15-9-24-27-26-15)16-4-3-5-17-19(21(22(28)29)25-20(16)17)13-6-7-14(18(23)8-13)11-33(2,30)31/h3-9,12,25H,10-11H2,1-2H3,(H,28,29)(H,24,26,27)/t12-/m1/s1
InChI=1S/C22H21FN4O5S/c1-12(32-10-15-9-24-27-26-15)16-4-3-5-17-19(21(22(28)29)25-20(16)17)13-6-7-14(18(23)8-13)11-33(2,30)31/h3-9,12,25H,10-11H2,1-2H3,(H,28,29)(H,24,26,27)/t12-/m1/s1
SMILES: C[C@H](c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)OCc4cnn[nH]4
C[C@H](c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)C)C(=O)O)OCc4cnn[nH]4
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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