2025-09-06_00000155|ligand|9M7E

Crystal structure of AsDMS D333N mutant in complex with drimenyl phosphate; X-ray diffraction 2.90Å
Protein #1 521 residues (99% resolved)

GSHLTPELITSLQELSQILDRYDTIVFDLGDVLLHWDSVHFTSETKGIDDVRKMVKHPVWQDLEKGLINQEFALTALSCELETPCSKLKEMLELSIASLQVNPLMVEVLRVLHKKDKQIYCLSNVDLESFSYLYKQFDFWKYFDGIYVSALLQLRKPNPDIFQYLISSASINTKSTIFIDDKSENLQEAANFGISTLKYNKDNFEYTAIEGGWPIPLQNMTPEIHKKRTLGEDYLNLRLRKFPFCKSFVSNNVELIGGEDFSKEIFSTAVILHSYTSLPDDIIASMCHEILNHDGQNKLRWCFYKNEARPDNFPDDLNTTSMVLSFLLNHNKLTIEKIIPVAEQMIANRNEEGIIQVYFDDNRPRIDAIVAINVLYLMHQIGYGERKELKETEAFVFDFLISKEYLKGTRYYPAPDVFLFFLSRLVVDFPDQFEKFHKPLTEMLITRVNCSTFPLERALRIIALKKLGIVNRVDFLKLLDTQLADGGWPVYGLFIAPRSNTYFGSRELSTAFALEALHILS

GSHLTPELITSLQELSQILDRYDTIVFDLGDVLLHWDSVHFTSETKGIDDVRKMVKHPVWQDLEKGLINQEFALTALSCELETPCSKLKEMLELSIASLQVNPLMVEVLRVLHKKDKQIYCLSNVDLESFSYLYKQFDFWKYFDGIYVSALLQLRKPNPDIFQYLISSASINTKSTIFIDDKSENLQEAANFGISTLKYNKDNFEYTAIEGGWPIPLQNMTPEIHKKRTLGEDYLNLRLRKFPFCKSFVSNNVELIGGEDFSKEIFSTAVILHSYTSLPDDIIASMCHEILNHDGQNKLRWCFYKNEARPDNFPDDLNTTSMVLSFLLNHNKLTIEKIIPVAEQMIANRNEEGIIQVYFDDNRPRIDAIVAINVLYLMHQIGYGERKELKETEAFVFDFLISKEYLKGTRYYPAPDVFLFFLSRLVVDFPDQFEKFHKPLTEMLITRVNCSTFPLERALRIIALKKLGIVNRVDFLKLLDTQLADGGWPVYGLFIAPRSNTYFGSRELSTAFALEALHILS
Non polymer #2 A1MAK

InChI=1S/C15H27O4P/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-19-20(16,17)18/h6,12-13H,5,7-10H2,1-4H3,(H2,16,17,18)/t12-,13-,15+/m0/s1

CC1=CC[C@@H]2[C@@]([C@H]1COP(=O)(O)O)(CCCC2(C)C)C
Non polymer #3 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #4 CL

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

[Cl-]
Non polymer #5 FPP

InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+

CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C
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Reference