2024-06-22_00000084
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ligand
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8P9P
Crystal structure of the metallo-beta-lactamase VIM1 with 2408;
X-ray diffraction 1.14Å
Protein #1
266 residues (87% resolved)
Raw Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Canonical Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Non polymer #2
XB4
InChI=1S/C19H19FN2O3/c1-4-25-18-14(8-11(20)9-21-18)15-13-7-5-6-12(10(2)3)16(13)22-17(15)19(23)24/h5-10,22H,4H2,1-3H3,(H,23,24)
InChI=1S/C19H19FN2O3/c1-4-25-18-14(8-11(20)9-21-18)15-13-7-5-6-12(10(2)3)16(13)22-17(15)19(23)24/h5-10,22H,4H2,1-3H3,(H,23,24)
SMILES: CCOc1c(cc(cn1)F)c2c3cccc(c3[nH]c2C(=O)O)C(C)C
CCOc1c(cc(cn1)F)c2c3cccc(c3[nH]c2C(=O)O)C(C)C
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
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