2024-07-06_00000108
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ligand
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8PH1
Crystal structure of the metallo-beta-lactamase VIM1 with 3708;
X-ray diffraction 1.33Å
Protein #1
266 residues (87% resolved)
Raw Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Canonical Sequence ...
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
Non polymer #2
YMF
InChI=1S/C21H25N5O4/c1-11(7-22)6-14-10-26(21(29)30-14)12(2)15-4-3-5-16-17(13-8-23-24-9-13)19(20(27)28)25-18(15)16/h3-5,8-9,11-12,14,25H,6-7,10,22H2,1-2H3,(H,23,24)(H,27,28)/t11-,12+,14-/m1/s1
InChI=1S/C21H25N5O4/c1-11(7-22)6-14-10-26(21(29)30-14)12(2)15-4-3-5-16-17(13-8-23-24-9-13)19(20(27)28)25-18(15)16/h3-5,8-9,11-12,14,25H,6-7,10,22H2,1-2H3,(H,23,24)(H,27,28)/t11-,12+,14-/m1/s1
SMILES: C[C@H](C[C@@H]1CN(C(=O)O1)[C@@H](C)c2cccc3c2[nH]c(c3c4c[nH]nc4)C(=O)O)CN
C[C@H](C[C@@H]1CN(C(=O)O1)[C@@H](C)c2cccc3c2[nH]c(c3c4c[nH]nc4)C(=O)O)CN
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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