2026-03-07_00000105
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ligand
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9MB4
Metal Beta Lactamase NDM-1 in Complex with Dual MBL/SBL Inhibitor 14;
X-ray diffraction 2.44Å
Protein #1
241 residues (94% resolved)
Raw Sequence ...
EIRPTIGQQMETGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR
Canonical Sequence ...
EIRPTIGQQMETGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR
Non polymer #2
A1ENL
InChI=1S/C15H13BN3O6S/c20-15(21)13-9(3-4-11-14(13)25-16(22,23)8-24-11)6-19-7-10(17-18-19)12-2-1-5-26-12/h1-5,7,22-23H,6,8H2,(H,20,21)/q-1
InChI=1S/C15H13BN3O6S/c20-15(21)13-9(3-4-11-14(13)25-16(22,23)8-24-11)6-19-7-10(17-18-19)12-2-1-5-26-12/h1-5,7,22-23H,6,8H2,(H,20,21)/q-1
SMILES: [B-]1(COc2ccc(c(c2O1)C(=O)O)Cn3cc(nn3)c4cccs4)(O)O
[B-]1(COc2ccc(c(c2O1)C(=O)O)Cn3cc(nn3)c4cccs4)(O)O
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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Biounit #4
monomer
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