2025-12-06_00000078
|
ligand
|
9I9C
CRYSTAL STRUCTURE OF HUMAN MONOACYLGLYCEROL LIPASE WITH COMPOUND 29;
X-ray diffraction 1.49Å
Protein #1
323 residues (89% resolved)
Raw Sequence ...
MGSSHHHHHHSSGENLYFQGMPEESSPRRTPQSIPYQDLPHLVNADGQYLFCRYWAPTGTPKALIFVSHGAGEHSGRYEELARMLMGLDLLVFAHDHVGHGQSEGERMVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLGHSMGGAIAILTAAERPGHFAGMVLISPLVLANPESATTFKVLAAKVLNSVLPNLSSGPIDSSVLSRNKTEVDIYNSDPLICRAGLKVCFGIQLLNAVSRVERALPKLTVPFLLLQGSADRLCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQRTATAGTASPP
Canonical Sequence ...
MGSSHHHHHHSSGENLYFQGMPEESSPRRTPQSIPYQDLPHLVNADGQYLFCRYWAPTGTPKALIFVSHGAGEHSGRYEELARMLMGLDLLVFAHDHVGHGQSEGERMVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLGHSMGGAIAILTAAERPGHFAGMVLISPLVLANPESATTFKVLAAKVLNSVLPNLSSGPIDSSVLSRNKTEVDIYNSDPLICRAGLKVCFGIQLLNAVSRVERALPKLTVPFLLLQGSADRLCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQRTATAGTASPP
Non polymer #2
A1I1C
InChI=1S/C29H30N6O2/c36-28(34-15-29(16-34)12-21(13-29)35-17-31-26(33-35)19-5-6-19)20-7-8-24-25(11-20)37-27(32-24)23-14-30-10-9-22(23)18-3-1-2-4-18/h7-11,14,17-19,21H,1-6,12-13,15-16H2
InChI=1S/C29H30N6O2/c36-28(34-15-29(16-34)12-21(13-29)35-17-31-26(33-35)19-5-6-19)20-7-8-24-25(11-20)37-27(32-24)23-14-30-10-9-22(23)18-3-1-2-4-18/h7-11,14,17-19,21H,1-6,12-13,15-16H2
SMILES: c1cc2c(cc1C(=O)N3CC4(C3)CC(C4)n5cnc(n5)C6CC6)oc(n2)c7cnccc7C8CCCC8
c1cc2c(cc1C(=O)N3CC4(C3)CC(C4)n5cnc(n5)C6CC6)oc(n2)c7cnccc7C8CCCC8
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
Tube
Model
Reference
100%