Receptor
PDB id Resolution Class Description Source Keywords
3BIB 2.5 Å NON-ENZYME: IMMUNE TIM-4 IN COMPLEX WITH PHOSPHATIDYLSERINE MUS MUSCULUS BETA BARREL IMMUNOGLOBULIN FOLD IGV DOMAIN TIM GLYCOPROTEIN IMMUNOGLOBULIN DOMAIN MEMBRANE POLYMORPHISMTRANSMEMBRANE IMMUNE SYSTEM
Ref.: STRUCTURES OF T CELL IMMUNOGLOBULIN MUCIN PROTEIN 4 SHOW A METAL-ION-DEPENDENT LIGAND BINDING SITE WHERE PHOSPHATIDYLSERINE BINDS. IMMUNITY V. 27 941 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA X:117;
Part of Protein;
none;
submit data
22.99 Na [Na+]
PSF X:118;
Valid;
none;
ic50 = 4 mM
455.437 C18 H34 N O10 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3BIB 2.5 Å NON-ENZYME: IMMUNE TIM-4 IN COMPLEX WITH PHOSPHATIDYLSERINE MUS MUSCULUS BETA BARREL IMMUNOGLOBULIN FOLD IGV DOMAIN TIM GLYCOPROTEIN IMMUNOGLOBULIN DOMAIN MEMBRANE POLYMORPHISMTRANSMEMBRANE IMMUNE SYSTEM
Ref.: STRUCTURES OF T CELL IMMUNOGLOBULIN MUCIN PROTEIN 4 SHOW A METAL-ION-DEPENDENT LIGAND BINDING SITE WHERE PHOSPHATIDYLSERINE BINDS. IMMUNITY V. 27 941 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 3BIB ic50 = 4 mM PSF C18 H34 N O10 P CCCCCC(=O)....
2 3BIA ic50 = 125 mM TLA C4 H6 O6 [C@@H]([C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 3BIB ic50 = 4 mM PSF C18 H34 N O10 P CCCCCC(=O)....
2 3BIA ic50 = 125 mM TLA C4 H6 O6 [C@@H]([C@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 3BIB ic50 = 4 mM PSF C18 H34 N O10 P CCCCCC(=O)....
2 3BIA ic50 = 125 mM TLA C4 H6 O6 [C@@H]([C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PSF; Similar ligands found: 91
No: Ligand ECFP6 Tc MDL keys Tc
1 PSF 1 1
2 8SP 0.887097 1
3 P5S 0.873016 1
4 44G 0.723077 0.843137
5 HXG 0.676471 0.745763
6 CD4 0.676471 0.84
7 44E 0.66129 0.803922
8 PEV 0.642857 0.90566
9 PEH 0.642857 0.90566
10 8PE 0.642857 0.90566
11 PTY 0.642857 0.90566
12 PEF 0.642857 0.90566
13 3PE 0.642857 0.90566
14 9PE 0.633803 0.90566
15 LHG 0.633803 0.843137
16 PGT 0.633803 0.843137
17 PEE 0.611111 0.888889
18 XP5 0.611111 0.745763
19 CN3 0.605263 0.84
20 LIO 0.594595 0.745763
21 PX4 0.594595 0.745763
22 HGX 0.594595 0.745763
23 HGP 0.594595 0.745763
24 PLD 0.594595 0.745763
25 PC7 0.594595 0.745763
26 6PL 0.594595 0.745763
27 PD7 0.590909 0.803922
28 P50 0.580247 0.960784
29 CN6 0.578947 0.84
30 F57 0.573529 0.803922
31 3PH 0.573529 0.803922
32 6PH 0.573529 0.803922
33 PA8 0.573529 0.784314
34 LPP 0.573529 0.803922
35 7PH 0.573529 0.803922
36 L9Q 0.56962 0.888889
37 6OU 0.56962 0.888889
38 LOP 0.56962 0.888889
39 PX2 0.565217 0.784314
40 7P9 0.565217 0.803922
41 PX8 0.565217 0.784314
42 PGW 0.5625 0.826923
43 D3D 0.5625 0.826923
44 RXY 0.5625 0.888889
45 PGV 0.555556 0.826923
46 DR9 0.555556 0.826923
47 P6L 0.548781 0.826923
48 PGK 0.548781 0.796296
49 PIF 0.544304 0.736842
50 52N 0.54321 0.736842
51 PIO 0.54321 0.736842
52 OZ2 0.542169 0.826923
53 PII 0.538462 0.75
54 ZPE 0.536585 0.888889
55 PCW 0.53012 0.733333
56 DGG 0.529412 0.796296
57 S12 0.525 0.960784
58 IP9 0.52439 0.719298
59 PIZ 0.518072 0.719298
60 PCK 0.517647 0.709677
61 GP7 0.517241 0.888889
62 CDL 0.513158 0.764706
63 PEK 0.511628 0.888889
64 M7U 0.506494 0.803922
65 D21 0.506494 0.788462
66 PSC 0.488889 0.733333
67 PG8 0.487179 0.807692
68 B7N 0.482759 0.736842
69 AGA 0.475 0.807692
70 PDK 0.46875 0.786885
71 EPH 0.463158 0.888889
72 PC1 0.451219 0.706897
73 PCF 0.451219 0.706897
74 MC3 0.451219 0.706897
75 PC5 0.448718 0.629032
76 8ND 0.445946 0.648148
77 PBU 0.444444 0.684211
78 T7X 0.431579 0.736842
79 GSE 0.430769 0.784314
80 I35 0.43038 0.666667
81 DB4 0.43038 0.684211
82 P3A 0.428571 0.792453
83 PIE 0.428571 0.689655
84 LPX 0.423077 0.886792
85 LPS 0.417722 0.960784
86 3PC 0.409639 0.689655
87 5P5 0.409639 0.684211
88 PIB 0.409639 0.684211
89 LBN 0.406593 0.694915
90 POV 0.406593 0.694915
91 L9R 0.406593 0.694915
Similar Ligands (3D)
Ligand no: 1; Ligand: PSF; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3BIB; Ligand: PSF; 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: 3bib.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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