2025-02-01_00000065
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ligand
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8Y4M
Metal Beta-Lactamase VIM-2 in Complex with MBL inhibitor B9;
X-ray diffraction 2.17Å
Protein #1
231 residues (100% resolved)
Raw Sequence ...
AYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNA
Canonical Sequence ...
AYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNA
Non polymer #2
A1LXH
InChI=1S/C18H18BO7/c1-11(18(20)21)9-17-15-10-14(7-8-16(15)19(22,23)26-17)25-13-5-3-12(24-2)4-6-13/h3-8,10,17,22-23H,1,9H2,2H3,(H,20,21)/q-1/t17-/m1/s1
InChI=1S/C18H18BO7/c1-11(18(20)21)9-17-15-10-14(7-8-16(15)19(22,23)26-17)25-13-5-3-12(24-2)4-6-13/h3-8,10,17,22-23H,1,9H2,2H3,(H,20,21)/q-1/t17-/m1/s1
SMILES: [B-]1(c2ccc(cc2[C@H](O1)CC(=C)C(=O)O)Oc3ccc(cc3)OC)(O)O
[B-]1(c2ccc(cc2[C@H](O1)CC(=C)C(=O)O)Oc3ccc(cc3)OC)(O)O
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
homo-trimer
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Model
Reference
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