2024-07-06_00000101
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ligand
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8PGU
Crystal structure of the metallo-beta-lactamase VIM1 with 3394;
X-ray diffraction 1.62Å
Protein #1
266 residues (87% resolved)
Raw Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Canonical Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Non polymer #2
YUH
InChI=1S/C23H24N4O5/c1-12(27-11-23(32-22(27)31)7-13(8-23)9-24)15-3-2-4-16-18(14-5-6-17(28)25-10-14)20(21(29)30)26-19(15)16/h2-6,10,12-13,26H,7-9,11,24H2,1H3,(H,25,28)(H,29,30)/t12-,13-,23-/m0/s1
InChI=1S/C23H24N4O5/c1-12(27-11-23(32-22(27)31)7-13(8-23)9-24)15-3-2-4-16-18(14-5-6-17(28)25-10-14)20(21(29)30)26-19(15)16/h2-6,10,12-13,26H,7-9,11,24H2,1H3,(H,25,28)(H,29,30)/t12-,13-,23-/m0/s1
SMILES: C[C@@H](c1cccc2c1[nH]c(c2C3=CNC(=O)C=C3)C(=O)O)N4CC5(CC(C5)CN)OC4=O
C[C@@H](c1cccc2c1[nH]c(c2C3=CNC(=O)C=C3)C(=O)O)N4CC5(CC(C5)CN)OC4=O
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
Download coordinates
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Model
Reference
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