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...
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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 208 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 62 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 42 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
Ligand no: 1; Ligand: PSF; Similar ligands found: 82
No: Ligand ECFP6 Tc MDL keys Tc
1 PSF 1 1
2 P5S 0.873016 1
3 44G 0.723077 0.843137
4 CD4 0.676471 0.84
5 44E 0.66129 0.803922
6 PEV 0.642857 0.90566
7 PTY 0.642857 0.90566
8 PEH 0.642857 0.90566
9 8PE 0.642857 0.90566
10 PEF 0.642857 0.90566
11 LHG 0.633803 0.843137
12 PGT 0.633803 0.843137
13 9PE 0.633803 0.90566
14 XP5 0.611111 0.745763
15 PEE 0.611111 0.888889
16 CN3 0.605263 0.84
17 6PL 0.594595 0.745763
18 HGP 0.594595 0.745763
19 HGX 0.594595 0.745763
20 LIO 0.594595 0.745763
21 PC7 0.594595 0.745763
22 PLD 0.594595 0.745763
23 PD7 0.590909 0.803922
24 P50 0.580247 0.960784
25 CN6 0.578947 0.84
26 F57 0.573529 0.803922
27 6PH 0.573529 0.803922
28 3PH 0.573529 0.803922
29 7PH 0.573529 0.803922
30 LPP 0.573529 0.803922
31 LOP 0.56962 0.888889
32 L9Q 0.56962 0.888889
33 6OU 0.56962 0.888889
34 7P9 0.565217 0.803922
35 PX8 0.565217 0.784314
36 PX2 0.565217 0.784314
37 D3D 0.5625 0.826923
38 PGW 0.5625 0.826923
39 DR9 0.555556 0.826923
40 PGV 0.555556 0.826923
41 PGK 0.548781 0.796296
42 P6L 0.548781 0.826923
43 PIF 0.544304 0.736842
44 52N 0.54321 0.736842
45 PIO 0.54321 0.736842
46 OZ2 0.542169 0.826923
47 PII 0.538462 0.75
48 ZPE 0.536585 0.888889
49 PCW 0.53012 0.733333
50 DGG 0.529412 0.796296
51 S12 0.525 0.960784
52 IP9 0.52439 0.719298
53 PIZ 0.518072 0.719298
54 PCK 0.517647 0.709677
55 GP7 0.517241 0.888889
56 CDL 0.513158 0.764706
57 PEK 0.511628 0.888889
58 M7U 0.506494 0.803922
59 D21 0.506494 0.788462
60 PSC 0.488889 0.733333
61 B7N 0.482759 0.736842
62 AGA 0.475 0.807692
63 PDK 0.46875 0.786885
64 EPH 0.463158 0.888889
65 3PE 0.4625 0.830189
66 PCF 0.451219 0.706897
67 PC1 0.451219 0.706897
68 MC3 0.451219 0.706897
69 PC5 0.448718 0.629032
70 8ND 0.445946 0.648148
71 PBU 0.444444 0.684211
72 T7X 0.431579 0.736842
73 GSE 0.430769 0.784314
74 DB4 0.43038 0.684211
75 P3A 0.428571 0.792453
76 PIE 0.428571 0.689655
77 LPS 0.417722 0.960784
78 3PC 0.409639 0.689655
79 5P5 0.409639 0.684211
80 PIB 0.409639 0.684211
81 POV 0.406593 0.694915
82 L9R 0.406593 0.694915
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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