2024-06-01_00000184
|
medium
|
8WWW
Crystal structure of the adenylation domain of SyAstC;
X-ray diffraction 2.78Å
Protein #1
501 residues (100% resolved)
Raw Sequence ...
VNMLVKALEERADAVPDLTALECEGVELTFRAVHERANRLARHLVASGVGPDRVVAVMLPRSTDLLVTLLAVLKAGGAYLALDPEHPAERVAFQVRDAAPVVLVTSARIDADRTDLGIARVVLDDPGTAETLAALPAGHLTDAERAAPAGPEDLAYVIYTSGSTGTPKGVEIPVRALHNLLEAMRERLSLGPGDRMLSVTTATFDMSVPELFLPYYTGARAVIAPRATGQDPRELGDLIVRREIGTAQATPTHWHMLATVSPEALRGLRILIGGEALSEKLAATLLDLGAEVVQWYGPTETTVWSTVHPVTGPADAAVIGKPLRNTRLYVLDEDLVPVEQGTEGELFIAGAGVARGYLNRPELTAERFLPDRFGTGDALMYRTGDVVRMRPDGDLEYVGRADHQVKLHGFRVELGEIEAALERSEDVDQASATVREDRPGDRRLVAYVTAATGRVPDVRELRNFVAQTLPLYMVPTAVVALEEFPLTPNGKLDRKALPAPV
Canonical Sequence ...
VNMLVKALEERADAVPDLTALECEGVELTFRAVHERANRLARHLVASGVGPDRVVAVMLPRSTDLLVTLLAVLKAGGAYLALDPEHPAERVAFQVRDAAPVVLVTSARIDADRTDLGIARVVLDDPGTAETLAALPAGHLTDAERAAPAGPEDLAYVIYTSGSTGTPKGVEIPVRALHNLLEAMRERLSLGPGDRMLSVTTATFDMSVPELFLPYYTGARAVIAPRATGQDPRELGDLIVRREIGTAQATPTHWHMLATVSPEALRGLRILIGGEALSEKLAATLLDLGAEVVQWYGPTETTVWSTVHPVTGPADAAVIGKPLRNTRLYVLDEDLVPVEQGTEGELFIAGAGVARGYLNRPELTAERFLPDRFGTGDALMYRTGDVVRMRPDGDLEYVGRADHQVKLHGFRVELGEIEAALERSEDVDQASATVREDRPGDRRLVAYVTAATGRVPDVRELRNFVAQTLPLYMVPTAVVALEEFPLTPNGKLDRKALPAPV
Non polymer #2
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Non polymer #3
YG3
InChI=1S/C13H19N7O7S/c1-5(14)12(23)19-28(24,25)26-2-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22H,2,14H2,1H3,(H,19,23)(H2,15,16,17)/t5-,6-,8-,9-,13-/m1/s1
InChI=1S/C13H19N7O7S/c1-5(14)12(23)19-28(24,25)26-2-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22H,2,14H2,1H3,(H,19,23)(H2,15,16,17)/t5-,6-,8-,9-,13-/m1/s1
SMILES: C[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N
C[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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