2025-08-30_00000059
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ligand
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9DEW
Crystal structure of NDM-1 complexed with compound 2;
X-ray diffraction 1.65Å
Protein #1
233 residues (98% resolved)
Raw Sequence ...
GSHMGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR
Canonical Sequence ...
GSHMGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR
Non polymer #2
A1A4D
InChI=1S/C14H16NO4P/c1-15-13-6-10(9-2-3-9)4-5-12(13)11(7-14(15)16)8-20(17,18)19/h4-7,9H,2-3,8H2,1H3,(H2,17,18,19)
InChI=1S/C14H16NO4P/c1-15-13-6-10(9-2-3-9)4-5-12(13)11(7-14(15)16)8-20(17,18)19/h4-7,9H,2-3,8H2,1H3,(H2,17,18,19)
SMILES: CN1c2cc(ccc2C(=CC1=O)CP(=O)(O)O)C3CC3
CN1c2cc(ccc2C(=CC1=O)CP(=O)(O)O)C3CC3
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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Model
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