2025-12-06_00000075
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ligand
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9I5J
CRYSTAL STRUCTURE OF HUMAN MONOACYLGLYCEROL LIPASE WITH COMPOUND 27;
X-ray diffraction 1.48Å
Protein #1
323 residues (90% resolved)
Raw Sequence ...
MGSSHHHHHHSSGENLYFQGMPEESSPRRTPQSIPYQDLPHLVNADGQYLFCRYWAPTGTPKALIFVSHGAGEHSGRYEELARMLMGLDLLVFAHDHVGHGQSEGERMVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLGHSMGGAIAILTAAERPGHFAGMVLISPLVLANPESATTFKVLAAKVLNSVLPNLSSGPIDSSVLSRNKTEVDIYNSDPLICRAGLKVCFGIQLLNAVSRVERALPKLTVPFLLLQGSADRLCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQRTATAGTASPP
Canonical Sequence ...
MGSSHHHHHHSSGENLYFQGMPEESSPRRTPQSIPYQDLPHLVNADGQYLFCRYWAPTGTPKALIFVSHGAGEHSGRYEELARMLMGLDLLVFAHDHVGHGQSEGERMVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLGHSMGGAIAILTAAERPGHFAGMVLISPLVLANPESATTFKVLAAKVLNSVLPNLSSGPIDSSVLSRNKTEVDIYNSDPLICRAGLKVCFGIQLLNAVSRVERALPKLTVPFLLLQGSADRLCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQRTATAGTASPP
Non polymer #2
A1IZ4
InChI=1S/C30H27ClN6O3/c31-25-7-6-23-26(34-25)35-29(40-23)37-14-12-36(13-15-37)28(38)18-4-5-22-24(16-18)39-27(33-22)20-17-32-11-8-21(20)30(9-10-30)19-2-1-3-19/h4-8,11,16-17,19H,1-3,9-10,12-15H2
InChI=1S/C30H27ClN6O3/c31-25-7-6-23-26(34-25)35-29(40-23)37-14-12-36(13-15-37)28(38)18-4-5-22-24(16-18)39-27(33-22)20-17-32-11-8-21(20)30(9-10-30)19-2-1-3-19/h4-8,11,16-17,19H,1-3,9-10,12-15H2
SMILES: c1cc2c(cc1C(=O)N3CCN(CC3)c4nc5c(o4)ccc(n5)Cl)oc(n2)c6cnccc6C7(CC7)C8CCC8
c1cc2c(cc1C(=O)N3CCN(CC3)c4nc5c(o4)ccc(n5)Cl)oc(n2)c6cnccc6C7(CC7)C8CCC8
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
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