2024-06-22_00000085
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ligand
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8P9Q
Crystal structure of the metallo-beta-lactamase VIM1 with 2455;
X-ray diffraction 1.08Å
Protein #1
266 residues (88% resolved)
Raw Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Canonical Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Non polymer #2
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Non polymer #3
XC6
InChI=1S/C20H19FN2O6S/c1-10(29-11(2)24)14-4-3-5-15-17(19(20(25)26)23-18(14)15)12-6-7-13(16(21)8-12)9-30(22,27)28/h3-8,10,23H,9H2,1-2H3,(H,25,26)(H2,22,27,28)/t10-/m0/s1
InChI=1S/C20H19FN2O6S/c1-10(29-11(2)24)14-4-3-5-15-17(19(20(25)26)23-18(14)15)12-6-7-13(16(21)8-12)9-30(22,27)28/h3-8,10,23H,9H2,1-2H3,(H,25,26)(H2,22,27,28)/t10-/m0/s1
SMILES: C[C@@H](c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)N)C(=O)O)OC(=O)C
C[C@@H](c1cccc2c1[nH]c(c2c3ccc(c(c3)F)CS(=O)(=O)N)C(=O)O)OC(=O)C
Non polymer #4
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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