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 1443 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 1205 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 1039 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: 74
No: Ligand ECFP6 Tc MDL keys Tc
1 1QW 1 1
2 GYM 1 1
3 OLB 0.808511 0.969697
4 OLC 0.808511 0.969697
5 MVC 0.770833 0.969697
6 78M 0.75 0.969697
7 78N 0.75 0.969697
8 PGM 0.666667 0.744186
9 NKN 0.627451 0.681818
10 NKO 0.627451 0.681818
11 L2C 0.62 0.852941
12 FAW 0.62 0.852941
13 DDR 0.62 0.852941
14 DGA 0.62 0.852941
15 TGL 0.571429 0.742857
16 PVC 0.545455 0.789474
17 1AG 0.545455 0.969697
18 LBR 0.54386 0.828571
19 LHG 0.539683 0.727273
20 PGT 0.539683 0.727273
21 NKP 0.533333 0.666667
22 G2A 0.531915 0.909091
23 2JT 0.531915 0.909091
24 CUY 0.510638 0.606061
25 6UL 0.510638 0.606061
26 CNS 0.510638 0.606061
27 7PH 0.491525 0.644444
28 LPP 0.491525 0.644444
29 3PH 0.491525 0.644444
30 6PH 0.491525 0.644444
31 F57 0.491525 0.644444
32 7P9 0.483333 0.644444
33 PX8 0.483333 0.622222
34 PX2 0.483333 0.622222
35 PGK 0.479452 0.680851
36 AGA 0.477612 0.727273
37 D3D 0.472222 0.711111
38 PGW 0.472222 0.711111
39 8ND 0.466667 0.651163
40 PGV 0.465753 0.711111
41 DR9 0.465753 0.711111
42 CD4 0.461538 0.681818
43 P6L 0.459459 0.711111
44 CDL 0.454545 0.636364
45 OZ2 0.453333 0.711111
46 S12 0.450704 0.607843
47 M7U 0.447761 0.644444
48 P3A 0.441558 0.711111
49 DGG 0.441558 0.680851
50 PD7 0.433333 0.644444
51 44G 0.430769 0.727273
52 PCJ 0.430556 0.659574
53 T80 0.428571 0.685714
54 D21 0.426471 0.630435
55 9R2 0.42623 0.690476
56 CN6 0.422535 0.681818
57 TWN 0.421875 0.6
58 F23 0.418605 0.606061
59 PLM 0.418605 0.606061
60 DKA 0.418605 0.606061
61 DAO 0.418605 0.606061
62 11A 0.418605 0.606061
63 KNA 0.418605 0.606061
64 EW8 0.418605 0.606061
65 DCR 0.418605 0.606061
66 MYR 0.418605 0.606061
67 F15 0.418605 0.606061
68 STE 0.418605 0.606061
69 TDA 0.418605 0.606061
70 X90 0.418605 0.606061
71 P5S 0.414286 0.607843
72 CN5 0.411765 0.666667
73 CN3 0.410959 0.681818
74 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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