2025-02-01_00000063
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ligand
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8Y4K
Metal Beta-Lactamase VIM-2 in Complex with MBL inhibitor B17;
X-ray diffraction 2.50Å
Protein #1
231 residues (100% resolved)
Raw Sequence ...
AYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNA
Canonical Sequence ...
AYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNA
Non polymer #2
A1LXG
InChI=1S/C14H17BNO6/c1-8(14(17)18)4-13-11-3-2-9(21-10-6-16-7-10)5-12(11)15(19,20)22-13/h2-3,5,10,13,16,19-20H,1,4,6-7H2,(H,17,18)/q-1/t13-/m1/s1
InChI=1S/C14H17BNO6/c1-8(14(17)18)4-13-11-3-2-9(21-10-6-16-7-10)5-12(11)15(19,20)22-13/h2-3,5,10,13,16,19-20H,1,4,6-7H2,(H,17,18)/q-1/t13-/m1/s1
SMILES: [B-]1(c2cc(ccc2[C@H](O1)CC(=C)C(=O)O)OC3CNC3)(O)O
[B-]1(c2cc(ccc2[C@H](O1)CC(=C)C(=O)O)OC3CNC3)(O)O
Non polymer #3
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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