2024-07-06_00000083
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ligand
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8PGB
Crystal structure of the metallo-beta-lactamase VIM1 with 2850;
X-ray diffraction 1.34Å
Protein #1
266 residues (87% resolved)
Raw Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Canonical Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Non polymer #2
YSK
InChI=1S/C22H20FN3O5S/c1-11(21-24-12(2)31-26-21)15-5-4-6-16-18(20(22(27)28)25-19(15)16)13-7-8-14(17(23)9-13)10-32(3,29)30/h4-9,11,25H,10H2,1-3H3,(H,27,28)/t11-/m0/s1
InChI=1S/C22H20FN3O5S/c1-11(21-24-12(2)31-26-21)15-5-4-6-16-18(20(22(27)28)25-19(15)16)13-7-8-14(17(23)9-13)10-32(3,29)30/h4-9,11,25H,10H2,1-3H3,(H,27,28)/t11-/m0/s1
SMILES: Cc1nc(no1)[C@@H](C)c2cccc3c2[nH]c(c3c4ccc(c(c4)F)CS(=O)(=O)C)C(=O)O
Cc1nc(no1)[C@@H](C)c2cccc3c2[nH]c(c3c4ccc(c(c4)F)CS(=O)(=O)C)C(=O)O
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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