2025-08-30_00000049
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ligand
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9D9N
Crystal structure of NDM-1 complexed with compound 5;
X-ray diffraction 1.68Å
Protein #1
233 residues (98% resolved)
Raw Sequence ...
GSHMGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR
Canonical Sequence ...
GSHMGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR
Non polymer #2
A1A25
InChI=1S/C15H19N2O4P/c1-16-14-9-12(17-6-2-3-7-17)4-5-13(14)11(8-15(16)18)10-22(19,20)21/h4-5,8-9H,2-3,6-7,10H2,1H3,(H2,19,20,21)
InChI=1S/C15H19N2O4P/c1-16-14-9-12(17-6-2-3-7-17)4-5-13(14)11(8-15(16)18)10-22(19,20)21/h4-5,8-9H,2-3,6-7,10H2,1H3,(H2,19,20,21)
SMILES: CN1c2cc(ccc2C(=CC1=O)CP(=O)(O)O)N3CCCC3
CN1c2cc(ccc2C(=CC1=O)CP(=O)(O)O)N3CCCC3
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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