Receptor
PDB id Resolution Class Description Source Keywords
2WEX 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN APOM IN COMPLEX WITH GLYCEROL 1- MYRISTIC ACID HOMO SAPIENS LIPID TRANSPORT LIGAND-BINDING SPECIFICITY GLYCOPROTEIN MYRISTIC ACID HDL LIPOCALIN TRANSPORT LIPOPROTEINS
Ref.: SERENDIPITOUS FATTY ACID BINDING REVEALS THE STRUCTURAL DETERMINANTS FOR LIGAND RECOGNITION IN APOLIPOPROTEIN M. J.MOL.BIOL. V. 393 920 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1187;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GYM A:1186;
Valid;
none;
submit data
302.449 C17 H34 O4 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YG2 1.7 Å NON-ENZYME: OTHER STRUCTURE OF APOLIOPROTEIN M IN COMPLEX WITH SPHINGOSINE 1-P HOMO SAPIENS LIPID TRANSPORT LIPOCALIN HDL
Ref.: ENDOTHELIUM-PROTECTIVE SPHINGOSINE-1-PHOSPHATE PROV HDL-ASSOCIATED APOLIPOPROTEIN M. PROC.NATL.ACAD.SCI.USA V. 108 9613 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 2WEW - MYR C14 H28 O2 CCCCCCCCCC....
2 2WEX - GYM C17 H34 O4 CCCCCCCCCC....
3 2YG2 - S1P C18 H38 N O5 P CCCCCCCCCC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 2WEW - MYR C14 H28 O2 CCCCCCCCCC....
2 2WEX - GYM C17 H34 O4 CCCCCCCCCC....
3 2YG2 - S1P C18 H38 N O5 P CCCCCCCCCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 2WEW - MYR C14 H28 O2 CCCCCCCCCC....
2 2WEX - GYM C17 H34 O4 CCCCCCCCCC....
3 2YG2 - S1P C18 H38 N O5 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GYM; Similar ligands found: 77
No: Ligand ECFP6 Tc MDL keys Tc
1 1QW 1 1
2 GYM 1 1
3 OLC 0.808511 0.969697
4 OLB 0.808511 0.969697
5 MVC 0.770833 0.969697
6 78N 0.75 0.969697
7 78M 0.75 0.969697
8 PGM 0.666667 0.744186
9 NKO 0.627451 0.681818
10 NKN 0.627451 0.681818
11 1EM 0.62 0.852941
12 FAW 0.62 0.852941
13 L2C 0.62 0.852941
14 DDR 0.62 0.852941
15 DGA 0.62 0.852941
16 TGL 0.571429 0.742857
17 1AG 0.545455 0.969697
18 PVC 0.545455 0.789474
19 LBR 0.54386 0.828571
20 LHG 0.539683 0.727273
21 PGT 0.539683 0.727273
22 NKP 0.533333 0.666667
23 G2A 0.531915 0.909091
24 2JT 0.531915 0.909091
25 6UL 0.510638 0.606061
26 CNS 0.510638 0.606061
27 CUY 0.510638 0.606061
28 LPP 0.491525 0.644444
29 6PH 0.491525 0.644444
30 3PH 0.491525 0.644444
31 7PH 0.491525 0.644444
32 F57 0.491525 0.644444
33 PX8 0.483333 0.622222
34 7P9 0.483333 0.644444
35 PX2 0.483333 0.622222
36 PGK 0.479452 0.680851
37 AGA 0.477612 0.727273
38 D3D 0.472222 0.711111
39 PGW 0.472222 0.711111
40 8ND 0.466667 0.651163
41 PA8 0.466667 0.622222
42 PGV 0.465753 0.711111
43 DR9 0.465753 0.711111
44 BQ9 0.462687 0.828571
45 CD4 0.461538 0.681818
46 P6L 0.459459 0.711111
47 CDL 0.454545 0.636364
48 OZ2 0.453333 0.711111
49 S12 0.450704 0.607843
50 M7U 0.447761 0.644444
51 DGG 0.441558 0.680851
52 P3A 0.441558 0.711111
53 PD7 0.433333 0.644444
54 44G 0.430769 0.727273
55 PCJ 0.430556 0.659574
56 T80 0.428571 0.685714
57 D21 0.426471 0.630435
58 9R2 0.42623 0.690476
59 CN6 0.422535 0.681818
60 TWN 0.421875 0.6
61 DCR 0.418605 0.606061
62 F15 0.418605 0.606061
63 MYR 0.418605 0.606061
64 DAO 0.418605 0.606061
65 EW8 0.418605 0.606061
66 TDA 0.418605 0.606061
67 X90 0.418605 0.606061
68 DKA 0.418605 0.606061
69 11A 0.418605 0.606061
70 F23 0.418605 0.606061
71 PLM 0.418605 0.606061
72 KNA 0.418605 0.606061
73 STE 0.418605 0.606061
74 P5S 0.414286 0.607843
75 CN5 0.411765 0.666667
76 CN3 0.410959 0.681818
77 PII 0.402778 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YG2; Ligand: FLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2yg2.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2YG2; Ligand: S1P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2yg2.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2YG2; Ligand: S1P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2yg2.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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