2026-03-07_00000104
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ligand
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9MAS
Metal Beta Lactamase VIM-2 in Complex with Dual MBL/SBL Inhibitor 3;
X-ray diffraction 1.76Å
Protein #1
266 residues (87% resolved)
Raw Sequence ...
MFKLLSKLLVYLTASIMAIASPLAFSVDSSGEYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNRSVVE
Canonical Sequence ...
MFKLLSKLLVYLTASIMAIASPLAFSVDSSGEYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNRSVVE
Non polymer #2
A1ENM
InChI=1S/C13H14BN2O6/c1-8-4-15-16(5-8)6-9-2-3-10-12(11(9)13(17)18)22-14(19,20)7-21-10/h2-5,19-20H,6-7H2,1H3,(H,17,18)/q-1
InChI=1S/C13H14BN2O6/c1-8-4-15-16(5-8)6-9-2-3-10-12(11(9)13(17)18)22-14(19,20)7-21-10/h2-5,19-20H,6-7H2,1H3,(H,17,18)/q-1
SMILES: [B-]1(COc2ccc(c(c2O1)C(=O)O)Cn3cc(cn3)C)(O)O
[B-]1(COc2ccc(c(c2O1)C(=O)O)Cn3cc(cn3)C)(O)O
Non polymer #3
FMT
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
SMILES: C(=O)O
C(=O)O
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
homo-dimer
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Model
Reference
100%