2026-07-04_00000108
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ligand
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9RMG
Soluble epoxide hydrolase in complex with AK191;
X-ray diffraction 2.10Å
Protein #1
367 residues (87% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMASMLNTPAPLPTSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNTPFIPANPNMSPLESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMHKVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKSLGRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIKWLDSDARNPPVVSKMLLEHHHHHH
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMASMLNTPAPLPTSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNTPFIPANPNMSPLESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMHKVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKSLGRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIKWLDSDARNPPVVSKMLLEHHHHHH
Non polymer #2
A1JH2
InChI=1S/C24H33N3O2/c1-15(28)27-8-6-22(7-9-27)26-24(29)25-21-4-2-18(3-5-21)23-19-11-16-10-17(13-19)14-20(23)12-16/h2-5,16-17,19-20,22-23H,6-14H2,1H3,(H2,25,26,29)/t16-,17+,19-,20+,23-
InChI=1S/C24H33N3O2/c1-15(28)27-8-6-22(7-9-27)26-24(29)25-21-4-2-18(3-5-21)23-19-11-16-10-17(13-19)14-20(23)12-16/h2-5,16-17,19-20,22-23H,6-14H2,1H3,(H2,25,26,29)/t16-,17+,19-,20+,23-
SMILES: CC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C3C4CC5CC(C4)CC3C5
CC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C3C4CC5CC(C4)CC3C5
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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