2024-07-06_00000102
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ligand
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8PGV
Crystal structure of the metallo-beta-lactamase VIM1 with 3396;
X-ray diffraction 1.23Å
Protein #1
266 residues (87% resolved)
Raw Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Canonical Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Non polymer #2
YRT
InChI=1S/C27H29FN4O7S/c1-14(32-13-27(39-26(32)35)8-15(9-27)10-29)18-3-2-4-19-22(24(25(33)34)30-23(18)19)16-5-6-21(20(28)7-16)31-40(36,37)17-11-38-12-17/h2-7,14-15,17,30-31H,8-13,29H2,1H3,(H,33,34)/t14-,15-,27-/m0/s1
InChI=1S/C27H29FN4O7S/c1-14(32-13-27(39-26(32)35)8-15(9-27)10-29)18-3-2-4-19-22(24(25(33)34)30-23(18)19)16-5-6-21(20(28)7-16)31-40(36,37)17-11-38-12-17/h2-7,14-15,17,30-31H,8-13,29H2,1H3,(H,33,34)/t14-,15-,27-/m0/s1
SMILES: C[C@@H](c1cccc2c1[nH]c(c2c3ccc(c(c3)F)NS(=O)(=O)C4COC4)C(=O)O)N5CC6(CC(C6)CN)OC5=O
C[C@@H](c1cccc2c1[nH]c(c2c3ccc(c(c3)F)NS(=O)(=O)C4COC4)C(=O)O)N5CC6(CC(C6)CN)OC5=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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