2024-09-21_00000132
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ligand
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8WHO
Crystal structure of AtHPPD-YH20541 complex;
X-ray diffraction 1.89Å
Protein #1
417 residues (91% resolved)
Raw Sequence ...
GSHMVRKNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMVHASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSSHGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGDVVLRYVSYKAEDTEKSEFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYVAGFTGFHQFAEFTADDVGTAESGLNSAVLASNDEMVLLPINEPVHGTKRKSQIQTYLEHNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRVGCMMKDEEGKAYQSGGCGGFGKGNFSELFKSIEEYEKTLEAKQLVG
Canonical Sequence ...
GSHMVRKNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMVHASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSSHGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGDVVLRYVSYKAEDTEKSEFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYVAGFTGFHQFAEFTADDVGTAESGLNSAVLASNDEMVLLPINEPVHGTKRKSQIQTYLEHNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRVGCMMKDEEGKAYQSGGCGGFGKGNFSELFKSIEEYEKTLEAKQLVG
Non polymer #2
CO
InChI=1S/Co/q+2
InChI=1S/Co/q+2
SMILES: [Co+2]
[Co+2]
Non polymer #3
WHO
InChI=1S/C14H13F3N6O2S/c1-3-26-6-10-20-21-11-8(4-5-9(23(10)11)14(15,16)17)12(24)18-13-22-19-7(2)25-13/h4-5H,3,6H2,1-2H3,(H,18,22,24)
InChI=1S/C14H13F3N6O2S/c1-3-26-6-10-20-21-11-8(4-5-9(23(10)11)14(15,16)17)12(24)18-13-22-19-7(2)25-13/h4-5H,3,6H2,1-2H3,(H,18,22,24)
SMILES: CCSCc1nnc2n1c(ccc2C(=O)Nc3nnc(o3)C)C(F)(F)F
CCSCc1nnc2n1c(ccc2C(=O)Nc3nnc(o3)C)C(F)(F)F
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
100%