2025-10-25_00000361|ligand|9W96

Crystal structure of BioZ C115S from Agrobacterium tumefaciens in complex with galutaryl-CoA; X-ray diffraction 2.50Å
Protein #1 327 residues (100% resolved)

QTRSSRMAGFGHAVPARCVDNAEIEASLGLEAGWIERRTGIRSRYWAEAGDTLSGLAERAGRMALEDAKINADDIALTLLATSTPDHLLPPSAPLLAHRLGLTRSGAIDLAGASSGFLYALTLADGFVRTYGRAVLVVAANILSRRINPAERASAVLFADAAGAVVLTPCPEVKRGVLSADLVADGSGYDLIQIAAGGSSQPFSAGMIAEDALMTMRDGREVFSRAVALMTNTSQRVLHEAELTAADISRFVPHQANARMSDAVCGNLGIEREKTVRTIGSFGNSSAATIPLSLSITNAERPLAGGETLLLTAAGAGMTGGAVVYRV

QTRSSRMAGFGHAVPARCVDNAEIEASLGLEAGWIERRTGIRSRYWAEAGDTLSGLAERAGRMALEDAKINADDIALTLLATSTPDHLLPPSAPLLAHRLGLTRSGAIDLAGASSGFLYALTLADGFVRTYGRAVLVVAANILSRRINPAERASAVLFADAAGAVVLTPCPEVKRGVLSADLVADGSGYDLIQIAAGGSSQPFSAGMIAEDALMTMRDGREVFSRAVALMTNTSQRVLHEAELTAADISRFVPHQANARMSDAVCGNLGIEREKTVRTIGSFGNSSAATIPLSLSITNAERPLAGGETLLLTAAGAGMTGGAVVYRV
Non polymer #2 GRA

InChI=1S/C26H42N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h12-14,19-21,25,38-39H,3-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t14-,19-,20-,21+,25-/m1/s1

CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O)O
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Reference