2024-07-06_00000100
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ligand
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8PGT
Crystal structure of the metallo-beta-lactamase VIM1 with 3393;
X-ray diffraction 1.21Å
Protein #1
266 residues (87% resolved)
Raw Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Canonical Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Non polymer #2
YKZ
InChI=1S/C23H24N4O5/c1-12(27-11-23(32-22(27)31)6-13(7-23)8-24)16-3-2-4-17-18(14-5-15(28)10-25-9-14)20(21(29)30)26-19(16)17/h2-5,9-10,12-13,26,28H,6-8,11,24H2,1H3,(H,29,30)/t12-,13-,23-/m0/s1
InChI=1S/C23H24N4O5/c1-12(27-11-23(32-22(27)31)6-13(7-23)8-24)16-3-2-4-17-18(14-5-15(28)10-25-9-14)20(21(29)30)26-19(16)17/h2-5,9-10,12-13,26,28H,6-8,11,24H2,1H3,(H,29,30)/t12-,13-,23-/m0/s1
SMILES: C[C@@H](c1cccc2c1[nH]c(c2c3cc(cnc3)O)C(=O)O)N4CC5(CC(C5)CN)OC4=O
C[C@@H](c1cccc2c1[nH]c(c2c3cc(cnc3)O)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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