2024-12-07_00000409
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ligand
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9FY5
CRYSTAL STRUCTURE OF HUMAN MONOACYLGLYCEROL LIPASE WITH COMPOUND;
X-ray diffraction 1.43Å
Protein #1
323 residues (91% resolved)
Raw Sequence ...
MGSSHHHHHHSSGENLYFQGMPEESSPRRTPQSIPYQDLPHLVNADGQYLFCRYWAPTGTPKALIFVSHGAGEHSGRYEELARMLMGLDLLVFAHDHVGHGQSEGERMVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLGHSMGGAIAILTAAERPGHFAGMVLISPLVLANPESATTFKVLAAKVLNSVLPNLSSGPIDSSVLSRNKTEVDIYNSDPLICRAGLKVCFGIQLLNAVSRVERALPKLTVPFLLLQGSADRLCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQRTATAGTASPP
Canonical Sequence ...
MGSSHHHHHHSSGENLYFQGMPEESSPRRTPQSIPYQDLPHLVNADGQYLFCRYWAPTGTPKALIFVSHGAGEHSGRYEELARMLMGLDLLVFAHDHVGHGQSEGERMVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLGHSMGGAIAILTAAERPGHFAGMVLISPLVLANPESATTFKVLAAKVLNSVLPNLSSGPIDSSVLSRNKTEVDIYNSDPLICRAGLKVCFGIQLLNAVSRVERALPKLTVPFLLLQGSADRLCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQRTATAGTASPP
Non polymer #2
A1IG3
InChI=1S/C26H31N3O3/c30-24-18-32-23-13-16-29(17-22(23)27-24)26(31)28-14-11-21(12-15-28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21-23,25H,11-18H2,(H,27,30)
InChI=1S/C26H31N3O3/c30-24-18-32-23-13-16-29(17-22(23)27-24)26(31)28-14-11-21(12-15-28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21-23,25H,11-18H2,(H,27,30)
SMILES: c1ccc(cc1)C(c2ccccc2)C3CCN(CC3)C(=O)N4CC[C@H]5[C@@H](C4)NC(=O)CO5
c1ccc(cc1)C(c2ccccc2)C3CCN(CC3)C(=O)N4CC[C@H]5[C@@H](C4)NC(=O)CO5
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
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Model
Reference
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