2025-10-18_00000275|ligand|9KQW

eudesmanediol synthase complexed with Mg2+,PPi and BTAC(PeTS3 complex); X-ray diffraction 1.99Å
Protein #1 330 residues (96% resolved)

MQVAPTSSPAGPVSAIPSVFETLQGYKVPVFFSRYPAGISIAAQEVEDALRKIDEEASEEGTRERRRALIRHTNPYGDPFTICHCSAFPDRLALLSCLVEVMWIHDDVTEEMDHISACREHDELAKVLQLDIDPSKFESGNVRQKSLAVVLRKAIDIDPKQAPAMIEMLRHYLATFDNIGGDFTRMEEYMPYRIANCGYWMSSYFIRWGMDMTLSEEEYASIEQFDIAMGNVLGLTNDYFSWNIEKDQETDRMRNGVVVLMKEHHTTADAAKMMLLGVIVEQESLAAKLKEERLKKPASKEILQYFEAIELYVGGSCYWHSTAPRYQVFE

MQVAPTSSPAGPVSAIPSVFETLQGYKVPVFFSRYPAGISIAAQEVEDALRKIDEEASEEGTRERRRALIRHTNPYGDPFTICHCSAFPDRLALLSCLVEVMWIHDDVTEEMDHISACREHDELAKVLQLDIDPSKFESGNVRQKSLAVVLRKAIDIDPKQAPAMIEMLRHYLATFDNIGGDFTRMEEYMPYRIANCGYWMSSYFIRWGMDMTLSEEEYASIEQFDIAMGNVLGLTNDYFSWNIEKDQETDRMRNGVVVLMKEHHTTADAAKMMLLGVIVEQESLAAKLKEERLKKPASKEILQYFEAIELYVGGSCYWHSTAPRYQVFE
Non polymer #2 BTM

InChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1

CC[N+](CC)(CC)Cc1ccccc1
Non polymer #3 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #4 POP

InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2

O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
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Reference