2025-03-08_00000024|ligand|8S75

Soluble epoxide hydrolase in complex with PROTAC FL412; X-ray diffraction 1.42Å
Protein #1 367 residues (87% resolved)

MGSSHHHHHHSSGLVPRGSHMASMLNTPAPLPTSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNTPFIPANPNMSPLESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMHKVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKSLGRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIKWLDSDARNPPVVSKMLLEHHHHHH

MGSSHHHHHHSSGLVPRGSHMASMLNTPAPLPTSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNTPFIPANPNMSPLESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMHKVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKSLGRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIKWLDSDARNPPVVSKMLLEHHHHHH
Non polymer #2 A1H5L

InChI=1S/C46H53F3N6O14/c47-46(48,49)69-34-14-8-31(9-15-34)53-45(62)52-30-6-12-33(13-7-30)68-32-10-4-29(5-11-32)41(58)51-19-21-64-23-25-66-27-26-65-24-22-63-20-18-50-39(57)28-67-37-3-1-2-35-40(37)44(61)55(43(35)60)36-16-17-38(56)54-42(36)59/h1-5,8-11,14-15,30,33,36H,6-7,12-13,16-28H2,(H,50,57)(H,51,58)(H2,52,53,62)(H,54,56,59)/t30-,33-,36?

c1cc2c(c(c1)OCC(=O)NCCOCCOCCOCCOCCNC(=O)c3ccc(cc3)OC4CCC(CC4)NC(=O)Nc5ccc(cc5)OC(F)(F)F)C(=O)N(C2=O)C6CCC(=O)NC6=O
Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
Non polymer #4 PG4

InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2

C(COCCOCCOCCO)O
Download coordinates
Download coordinates
Reference