2025-01-11_00000175
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ligand
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8XUG
Crystal structure of AtHPPD-YH21831 complex;
X-ray diffraction 1.89Å
Protein #1
417 residues (91% resolved)
Raw Sequence ...
GSHMVRKNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMVHASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSSHGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGDVVLRYVSYKAEDTEKSEFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYVAGFTGFHQFAEFTADDVGTAESGLNSAVLASNDEMVLLPINEPVHGTKRKSQIQTYLEHNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRVGCMMKDEEGKAYQSGGCGGFGKGNFSELFKSIEEYEKTLEAKQLVG
Canonical Sequence ...
GSHMVRKNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMVHASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSSHGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGDVVLRYVSYKAEDTEKSEFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYVAGFTGFHQFAEFTADDVGTAESGLNSAVLASNDEMVLLPINEPVHGTKRKSQIQTYLEHNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRVGCMMKDEEGKAYQSGGCGGFGKGNFSELFKSIEEYEKTLEAKQLVG
Non polymer #2
A1LW7
InChI=1S/C18H14F3N3O7/c1-22-10-5-8(15(27)14-12(25)3-2-4-13(14)26)11(24(30)31)6-9(10)16(28)23(17(22)29)7-18(19,20)21/h5-6,25H,2-4,7H2,1H3
InChI=1S/C18H14F3N3O7/c1-22-10-5-8(15(27)14-12(25)3-2-4-13(14)26)11(24(30)31)6-9(10)16(28)23(17(22)29)7-18(19,20)21/h5-6,25H,2-4,7H2,1H3
SMILES: CN1c2cc(c(cc2C(=O)N(C1=O)CC(F)(F)F)[N+](=O)[O-])C(=O)C3=C(CCCC3=O)O
CN1c2cc(c(cc2C(=O)N(C1=O)CC(F)(F)F)[N+](=O)[O-])C(=O)C3=C(CCCC3=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
Download coordinates
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Model
Reference
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