2025-01-11_00000138
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ligand
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8XR0
Crystal structure of AtHPPD-YH21618 complex;
X-ray diffraction 2.00Å
Protein #1
417 residues (90% resolved)
Raw Sequence ...
GSHMVRKNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMVHASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSSHGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGDVVLRYVSYKAEDTEKSEFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYVAGFTGFHQFAEFTADDVGTAESGLNSAVLASNDEMVLLPINEPVHGTKRKSQIQTYLEHNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRVGCMMKDEEGKAYQSGGCGGFGKGNFSELFKSIEEYEKTLEAKQLVG
Canonical Sequence ...
GSHMVRKNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMVHASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSSHGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGDVVLRYVSYKAEDTEKSEFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYVAGFTGFHQFAEFTADDVGTAESGLNSAVLASNDEMVLLPINEPVHGTKRKSQIQTYLEHNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRVGCMMKDEEGKAYQSGGCGGFGKGNFSELFKSIEEYEKTLEAKQLVG
Non polymer #2
A1LWR
InChI=1S/C23H21N3O6/c1-13-15(22(29)20-18(27)8-5-9-19(20)28)10-11-17-21(13)25(23(30)24(17)2)12-14-6-3-4-7-16(14)26(31)32/h3-4,6-7,10-11,27H,5,8-9,12H2,1-2H3
InChI=1S/C23H21N3O6/c1-13-15(22(29)20-18(27)8-5-9-19(20)28)10-11-17-21(13)25(23(30)24(17)2)12-14-6-3-4-7-16(14)26(31)32/h3-4,6-7,10-11,27H,5,8-9,12H2,1-2H3
SMILES: Cc1c(ccc2c1N(C(=O)N2C)Cc3ccccc3[N+](=O)[O-])C(=O)C4=C(CCCC4=O)O
Cc1c(ccc2c1N(C(=O)N2C)Cc3ccccc3[N+](=O)[O-])C(=O)C4=C(CCCC4=O)O
Non polymer #3
CO
InChI=1S/Co/q+2
InChI=1S/Co/q+2
SMILES: [Co+2]
[Co+2]
Biounit #1
homo-dimer
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Model
Reference
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