2025-08-30_00000053
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ligand
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9DB7
Crystal structure of NDM-1 complexed with compound 22;
X-ray diffraction 1.78Å
Protein #1
233 residues (98% resolved)
Raw Sequence ...
GSHMGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR
Canonical Sequence ...
GSHMGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR
Non polymer #2
A1A14
InChI=1S/C17H21BrNO4P/c1-11-15(10-24(21,22)23)14-7-6-13(18)8-16(14)19(17(11)20)9-12-4-2-3-5-12/h6-8,12H,2-5,9-10H2,1H3,(H2,21,22,23)
InChI=1S/C17H21BrNO4P/c1-11-15(10-24(21,22)23)14-7-6-13(18)8-16(14)19(17(11)20)9-12-4-2-3-5-12/h6-8,12H,2-5,9-10H2,1H3,(H2,21,22,23)
SMILES: CC1=C(c2ccc(cc2N(C1=O)CC3CCCC3)Br)CP(=O)(O)O
CC1=C(c2ccc(cc2N(C1=O)CC3CCCC3)Br)CP(=O)(O)O
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
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