2026-08-22_00000469
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ligand
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9WGC
Complex structure of AtHPPD with inhibitor YH201034;
X-ray diffraction 1.80Å
Protein #1
445 residues (86% resolved)
Raw Sequence ...
MGHQNAAVSENQNHDDGAASSPGFKLVGFSKFVRKNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMVHASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSSHGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGDVVLRYVSYKAEDTEKSEFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYVAGFTGFHQFAEFTADDVGTAESGLNSAVLASNDEMVLLPINEPVHGTKRKSQIQTYLEHNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRVGCMMKDEEGKAYQSGGCGGFGKGNFSELFKSIEEYEKTLEAKQLVG
Canonical Sequence ...
MGHQNAAVSENQNHDDGAASSPGFKLVGFSKFVRKNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMVHASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSSHGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGDVVLRYVSYKAEDTEKSEFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYVAGFTGFHQFAEFTADDVGTAESGLNSAVLASNDEMVLLPINEPVHGTKRKSQIQTYLEHNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRVGCMMKDEEGKAYQSGGCGGFGKGNFSELFKSIEEYEKTLEAKQLVG
Non polymer #2
A1EWI
InChI=1S/C21H21F3N2O5/c1-3-31-10-9-26-19(30)16-11(2)12(7-8-13(16)25-20(26)21(22,23)24)18(29)17-14(27)5-4-6-15(17)28/h7-8,27H,3-6,9-10H2,1-2H3
InChI=1S/C21H21F3N2O5/c1-3-31-10-9-26-19(30)16-11(2)12(7-8-13(16)25-20(26)21(22,23)24)18(29)17-14(27)5-4-6-15(17)28/h7-8,27H,3-6,9-10H2,1-2H3
SMILES: CCOCCN1C(=O)c2c(c(ccc2N=C1C(F)(F)F)C(=O)C3=C(CCCC3=O)O)C
CCOCCN1C(=O)c2c(c(ccc2N=C1C(F)(F)F)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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