2024-07-06_00000093
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ligand
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8PGM
Crystal structure of the metallo-beta-lactamase VIM1 with 3062;
X-ray diffraction 1.27Å
Protein #1
266 residues (87% 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
YU0
InChI=1S/C20H23FN2O3S/c1-11(2)14-5-4-6-15-17(19(20(24)25)23-18(14)15)12-7-8-13(16(21)9-12)10-27(3,22)26/h4-9,11,23,26H,10,22H2,1-3H3,(H,24,25)
InChI=1S/C20H23FN2O3S/c1-11(2)14-5-4-6-15-17(19(20(24)25)23-18(14)15)12-7-8-13(16(21)9-12)10-27(3,22)26/h4-9,11,23,26H,10,22H2,1-3H3,(H,24,25)
SMILES: CC(C)c1cccc2c1[nH]c(c2c3ccc(c(c3)F)C[S@@](C)(N)O)C(=O)O
CC(C)c1cccc2c1[nH]c(c2c3ccc(c(c3)F)C[S@@](C)(N)O)C(=O)O
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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