2026-01-24_00000072|ligand|9G4C

25-phosphosteroid lyase + phosphate + desmost-1,4-diene-3-one; X-ray diffraction 2.50Å
Protein #1 362 residues (100% resolved)

MQSQLSRLDDYPVHQIADVVRHTGTSDRNFYDRYYFNLFNKAGDIFVVFGLGQYPNLGVQDAFLLVREGDVQDVVRASRPLTDRADISVGPLKIEVIEGLKKLRLTVGPNEAGIELDVVWNGEHSAFQEPRHYIRKHGRVLFDTMRFAQLGTWSGTLKYNGKTYDITPDEWLGSRNRSWGVRPVGEEEPKGIHLGTPSMEGMWNYFPILFKDYALMYLVNETGDGKRTIEEGLRIWKDPQREPEWLGRPEHDHVFNSAMQYMADMKEGVVRFPDAPGGPLELRGTPLLQTYLTMGTGYGLEQDWRHGMYQGPELVVQKAHYNYKDDMMLGLIETPARFTLNGEVGYGMMEFAFFSEVPKYTG

MQSQLSRLDDYPVHQIADVVRHTGTSDRNFYDRYYFNLFNKAGDIFVVFGLGQYPNLGVQDAFLLVREGDVQDVVRASRPLTDRADISVGPLKIEVIEGLKKLRLTVGPNEAGIELDVVWNGEHSAFQEPRHYIRKHGRVLFDTMRFAQLGTWSGTLKYNGKTYDITPDEWLGSRNRSWGVRPVGEEEPKGIHLGTPSMEGMWNYFPILFKDYALMYLVNETGDGKRTIEEGLRIWKDPQREPEWLGRPEHDHVFNSAMQYMADMKEGVVRFPDAPGGPLELRGTPLLQTYLTMGTGYGLEQDWRHGMYQGPELVVQKAHYNYKDDMMLGLIETPARFTLNGEVGYGMMEFAFFSEVPKYTG
Non polymer #2 A1IIL

InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,13,15,17,19,22-25H,6,8-12,14,16H2,1-5H3/t19-,22-,23+,24-,25+,26+,27-/m1/s1

C[C@H](CCC=C(C)C)[C@@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@@H]2CCC4=CC(=O)C=C[C@]34C)C
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #4 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #5 PO4

InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3

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