2024-01-13_00000103
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ligand
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8HU2
Rattus Syntenin-1 PDZ domain with inhibitor;
X-ray diffraction 1.60Å
Protein #1
163 residues (99% resolved)
Raw Sequence ...
GGIREVILCKDQDGKIGLRLKSVDNGIFVQLVQANSPASLVGLRFGDQVLQINGENCAGWSSDKAHKVLKQAFGEKITMTIRDRPFERTVTMHKDSSGHVGFIFKSGKITSIVKDSSAARNGLLTDHHICEINGQNVIGLKDAQIADILSTAGTVVTITIMPA
Canonical Sequence ...
GGIREVILCKDQDGKIGLRLKSVDNGIFVQLVQANSPASLVGLRFGDQVLQINGENCAGWSSDKAHKVLKQAFGEKITMTIRDRPFERTVTMHKDSSGHVGFIFKSGKITSIVKDSSAARNGLLTDHHICEINGQNVIGLKDAQIADILSTAGTVVTITIMPA
Non polymer #2
M8R
InChI=1S/C22H19N3O5/c26-20-9-10-23-19(25-20)11-18(21(27)28)24-22(29)30-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,10,17-18H,9,11-12H2,(H,24,29)(H,27,28)/t18-/m0/s1
InChI=1S/C22H19N3O5/c26-20-9-10-23-19(25-20)11-18(21(27)28)24-22(29)30-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,10,17-18H,9,11-12H2,(H,24,29)(H,27,28)/t18-/m0/s1
SMILES: c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](CC4=NC(=O)CC=N4)C(=O)O
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](CC4=NC(=O)CC=N4)C(=O)O
Biounit #1
monomer
Download coordinates
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Model
Reference
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