2024-06-22_00000113
|
ligand
|
8PB2
Crystal structure of the metallo-beta-lactamase VIM1 with 2697;
X-ray diffraction 1.25Å
Protein #1
266 residues (87% resolved)
Raw Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Canonical Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Non polymer #2
XQ5
InChI=1S/C23H24FN7O4S/c1-12(31-10-15(29-30-31)9-27-23(25)26)16-4-3-5-17-19(21(22(32)33)28-20(16)17)13-6-7-14(18(24)8-13)11-36(2,34)35/h3-8,10,12,28H,9,11H2,1-2H3,(H,32,33)(H4,25,26,27)/t12-/m0/s1
InChI=1S/C23H24FN7O4S/c1-12(31-10-15(29-30-31)9-27-23(25)26)16-4-3-5-17-19(21(22(32)33)28-20(16)17)13-6-7-14(18(24)8-13)11-36(2,34)35/h3-8,10,12,28H,9,11H2,1-2H3,(H,32,33)(H4,25,26,27)/t12-/m0/s1
SMILES: [H]/N=C(/N)NCc1cn(nn1)[C@@H](C)c2cccc3c2[nH]c(c3c4ccc(c(c4)F)CS(=O)(=O)C)C(=O)O
[H]/N=C(/N)NCc1cn(nn1)[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
Download coordinates
Tube
Model
Reference
100%