2025-10-04_00000133
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ligand
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9JS2
Complex structure of AtHPPD with inhibitor YH23570;
X-ray diffraction 1.94Å
Protein #1
402 residues (94% resolved)
Raw Sequence ...
KNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMVHASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSSHGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGDVVLRYVSYKAEDTEKSEFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYVAGFTGFHQFAEFTADDVGTAESGLNSAVLASNDEMVLLPINEPVHGTKRKSQIQTYLEHNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRVGCMMKDEEGKAYQSGGCGGFGKGNFSELFKSIEEYEK
Canonical Sequence ...
KNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMVHASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSSHGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGDVVLRYVSYKAEDTEKSEFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYVAGFTGFHQFAEFTADDVGTAESGLNSAVLASNDEMVLLPINEPVHGTKRKSQIQTYLEHNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRVGCMMKDEEGKAYQSGGCGGFGKGNFSELFKSIEEYEK
Non polymer #2
A1L4S
InChI=1S/C20H22N2O5/c1-4-10-27-19-20(26)22(3)13-9-8-12(11(2)17(13)21-19)18(25)16-14(23)6-5-7-15(16)24/h8-9,23H,4-7,10H2,1-3H3
InChI=1S/C20H22N2O5/c1-4-10-27-19-20(26)22(3)13-9-8-12(11(2)17(13)21-19)18(25)16-14(23)6-5-7-15(16)24/h8-9,23H,4-7,10H2,1-3H3
SMILES: CCCOC1=Nc2c(c(ccc2N(C1=O)C)C(=O)C3=C(CCCC3=O)O)C
CCCOC1=Nc2c(c(ccc2N(C1=O)C)C(=O)C3=C(CCCC3=O)O)C
Non polymer #3
CO
InChI=1S/Co/q+2
InChI=1S/Co/q+2
SMILES: [Co+2]
[Co+2]
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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