2025-01-11_00000174
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ligand
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8XUE
Crystal structure of AtHPPD-Y191497 complex;
X-ray diffraction 2.22Å
Protein #1
417 residues (90% resolved)
Raw Sequence ...
GSHMVRKNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMVHASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSSHGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGDVVLRYVSYKAEDTEKSEFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYVAGFTGFHQFAEFTADDVGTAESGLNSAVLASNDEMVLLPINEPVHGTKRKSQIQTYLEHNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRVGCMMKDEEGKAYQSGGCGGFGKGNFSELFKSIEEYEKTLEAKQLVG
Canonical Sequence ...
GSHMVRKNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMVHASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSSHGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGDVVLRYVSYKAEDTEKSEFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYVAGFTGFHQFAEFTADDVGTAESGLNSAVLASNDEMVLLPINEPVHGTKRKSQIQTYLEHNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRVGCMMKDEEGKAYQSGGCGGFGKGNFSELFKSIEEYEKTLEAKQLVG
Non polymer #2
A1LW6
InChI=1S/C22H16ClN3O7/c1-24-15-9-13(20(29)19-17(27)3-2-4-18(19)28)16(26(32)33)10-14(15)21(30)25(22(24)31)12-7-5-11(23)6-8-12/h5-10,27H,2-4H2,1H3
InChI=1S/C22H16ClN3O7/c1-24-15-9-13(20(29)19-17(27)3-2-4-18(19)28)16(26(32)33)10-14(15)21(30)25(22(24)31)12-7-5-11(23)6-8-12/h5-10,27H,2-4H2,1H3
SMILES: CN1c2cc(c(cc2C(=O)N(C1=O)c3ccc(cc3)Cl)[N+](=O)[O-])C(=O)C4=C(CCCC4=O)O
CN1c2cc(c(cc2C(=O)N(C1=O)c3ccc(cc3)Cl)[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
Download coordinates
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Model
Reference
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