2026-07-04_00000212
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ligand
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9WHC
Crystal structure of human nNOS PDZ domain in complex with compound N28;
X-ray diffraction 2.80Å
Protein #1
126 residues (91% resolved)
Raw Sequence ...
MEDHMFGVQQIQPNVISVRLFKRKVGGLGFLVKERVSKPPVIISDLIRGGAAEQSGLIQAGDIILAVNGRPLVDLSYDSALEVLRGIASETHVVLILRGPEGFTTHLETTFTGDGTPKTIRVTQPL
Canonical Sequence ...
MEDHMFGVQQIQPNVISVRLFKRKVGGLGFLVKERVSKPPVIISDLIRGGAAEQSGLIQAGDIILAVNGRPLVDLSYDSALEVLRGIASETHVVLILRGPEGFTTHLETTFTGDGTPKTIRVTQPL
Non polymer #2
A1EWG
InChI=1S/C15H11F2NO3S/c1-9-2-3-11(13(16)4-9)5-10-6-12-8-18-22(19,20)21-15(12)14(17)7-10/h2-4,6-8H,5H2,1H3
InChI=1S/C15H11F2NO3S/c1-9-2-3-11(13(16)4-9)5-10-6-12-8-18-22(19,20)21-15(12)14(17)7-10/h2-4,6-8H,5H2,1H3
SMILES: Cc1ccc(c(c1)F)Cc2cc3c(c(c2)F)OS(=O)(=O)N=C3
Cc1ccc(c(c1)F)Cc2cc3c(c(c2)F)OS(=O)(=O)N=C3
Biounit #1
homo-dimer
Download coordinates
Biounit #2
homo-dimer
Download coordinates
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Model
Reference
100%