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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: 95
This union binding pocket(no: 1) in the query (biounit: 3bib.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2JFZ 003 None
2 2JFZ DGL None
3 1ATL 0QI None
4 3SUD SUE None
5 3KEE 30B None
6 3P8N L4T None
7 1OGD RIP None
8 6BQK Z1E None
9 4CO3 ATP None
10 3KIH GDL None
11 4X3H ARG ILE PRO SER TYR ARG TYR ARG TYR None
12 1HPG BOC ALA ALA PRO GLU None
13 1Z08 GNP None
14 5CZY SAM 1.72414
15 6A8H AHR AHR AHR 1.72414
16 3KIF GDL 1.88679
17 1MT6 SAH 2.58621
18 5LW0 AR6 2.58621
19 4IDN GNP 3.44828
20 1V25 ANP 3.44828
21 4ZLA BES 3.44828
22 2GJ8 ALF GDP 3.44828
23 5JLB SAH 3.44828
24 3AHO 3A2 3.44828
25 1TL2 NDG 3.44828
26 1S8F GDP 3.44828
27 4QC6 30N 3.44828
28 1CX4 CMP 3.44828
29 5MST AMP 4.31034
30 4K81 GTP 4.31034
31 3VPB ADP 4.31034
32 2CNE DFJ 4.31034
33 1M7G AV2 4.31034
34 3L9W AMP 4.31034
35 1PVN MZP 4.31034
36 2W5Z SAH 4.31034
37 5GZ9 MAN 4.31034
38 2A9K GDP 4.31034
39 6A5K SAM 4.31034
40 1G60 SAM 4.31034
41 1NJR XYL 4.31034
42 3UBM COA 4.31034
43 2XTN GTP 4.31034
44 6B5Q PPI CZS 2KY MLY 1XY 5.17241
45 4B2G V1N 5.17241
46 2GCG NDP 5.17241
47 5AOV NAP 5.17241
48 2HF9 GSP 5.17241
49 3HQP FDP 5.17241
50 2FV5 541 6.03448
51 3SWC SAH 6.03448
52 1XFF GLU 6.03448
53 3MMG GLU THR VAL ARG PHE GLN SER ASP 6.03448
54 2RFI SAH 6.03448
55 3HNA SAH 6.03448
56 6CEN SAM 6.03448
57 5TUZ 7L6 6.03448
58 5TUZ SAM 6.03448
59 4C1Q SAH 6.89655
60 2XCF BBQ 6.89655
61 2H21 SAM 6.89655
62 2B8W ALF 5GP 6.89655
63 5V59 8X1 6.89655
64 5K2M ADP 6.89655
65 5NB7 8NQ 6.89655
66 3H8G BES 6.89655
67 4YJ1 ADP 6.89655
68 4JYD SAH 7.75862
69 2C6Q NDP 7.75862
70 4NOS H2B 7.75862
71 4NOS H4B 7.75862
72 5W7D PX8 8.62069
73 1TMT DPN PRO ARG 8.62069
74 3HXU A5A 8.62069
75 1Q20 A3P 8.62069
76 1Q20 PLO 8.62069
77 3Q2H QHF 8.62069
78 4KGM ATP 8.62069
79 1WUU GLA 9.48276
80 5T0K SAM 9.48276
81 4NVQ 2OD 9.48276
82 4NVQ SAH 9.48276
83 5JIY SAM 9.48276
84 1SZ2 BGC 10.3448
85 3RZ3 U94 10.3448
86 6BII NAP 12.069
87 5HW4 SAM 12.931
88 5MSD BEZ 13.7931
89 4YNM SAM 14.6552
90 4ZY1 4U5 16.3793
91 4HCX NDP 16.3793
92 5C2N NAG 16.6667
93 4AU7 SAH 17.2414
94 6EW3 S3C 17.2414
95 5CPR SAM 18.9655
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