2026-03-14_00000258
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ligand
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9O2W
Crystal structure of NDM-1 complexed with compound 3;
X-ray diffraction 1.82Å
Protein #1
233 residues (98% resolved)
Raw Sequence ...
GSHMGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR
Canonical Sequence ...
GSHMGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR
Non polymer #2
A1B7Y
InChI=1S/C13H13FNO4P/c14-11-4-10-8(6-20(17,18)19)3-13(16)15-12(10)5-9(11)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16)(H2,17,18,19)
InChI=1S/C13H13FNO4P/c14-11-4-10-8(6-20(17,18)19)3-13(16)15-12(10)5-9(11)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16)(H2,17,18,19)
SMILES: c1c(c(cc2c1NC(=O)C=C2CP(=O)(O)O)F)C3CC3
c1c(c(cc2c1NC(=O)C=C2CP(=O)(O)O)F)C3CC3
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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