Receptor
PDB id Resolution Class Description Source Keywords
4J7Q 1.55 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SACCHAROMYCES CEREVISIAE SFH3 COMPLEXED PHOSPHATIDYLINOSITOL SACCHAROMYCES CEREVISIAE SEC14 SCAFFOLD LIPID TRANSPORT PHOSPHATIDYLINOSITOL
Ref.: STRUCTURAL DETERMINANTS FOR PHOSPHATIDYLINOSITOL RE BY SFH3 AND SUBSTRATE-INDUCED DIMER-MONOMER TRANSIT DURING LIPID TRANSFER CYCLES. FEBS LETT. V. 587 1610 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
B7N B:401;
A:401;
Valid;
Valid;
none;
none;
submit data
865.122 C45 H85 O13 P CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4J7Q 1.55 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SACCHAROMYCES CEREVISIAE SFH3 COMPLEXED PHOSPHATIDYLINOSITOL SACCHAROMYCES CEREVISIAE SEC14 SCAFFOLD LIPID TRANSPORT PHOSPHATIDYLINOSITOL
Ref.: STRUCTURAL DETERMINANTS FOR PHOSPHATIDYLINOSITOL RE BY SFH3 AND SUBSTRATE-INDUCED DIMER-MONOMER TRANSIT DURING LIPID TRANSFER CYCLES. FEBS LETT. V. 587 1610 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4J7Q - B7N C45 H85 O13 P CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4J7Q - B7N C45 H85 O13 P CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4J7Q - B7N C45 H85 O13 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: B7N; Similar ligands found: 96
No: Ligand ECFP6 Tc MDL keys Tc
1 B7N 1 1
2 PII 0.875 0.979592
3 T7X 0.819277 1
4 PIE 0.768293 0.94
5 PIF 0.75641 0.96
6 PIZ 0.719512 0.94
7 IP9 0.707317 0.94
8 PIO 0.707317 0.96
9 52N 0.707317 0.96
10 D21 0.701299 0.84
11 6OU 0.695122 0.711864
12 LOP 0.695122 0.711864
13 L9Q 0.695122 0.711864
14 D3D 0.686747 0.843137
15 PGW 0.686747 0.843137
16 DR9 0.678571 0.843137
17 PGV 0.678571 0.843137
18 P6L 0.670588 0.843137
19 PCW 0.670588 0.66129
20 P50 0.662791 0.736842
21 OZ2 0.662791 0.843137
22 ZPE 0.658824 0.711864
23 GP7 0.633333 0.711864
24 PSC 0.602151 0.66129
25 CD4 0.592593 0.82
26 PEV 0.585366 0.694915
27 PTY 0.585366 0.694915
28 PEH 0.585366 0.694915
29 PEF 0.585366 0.694915
30 8PE 0.585366 0.694915
31 LPP 0.584416 0.82
32 6PH 0.584416 0.82
33 7PH 0.584416 0.82
34 F57 0.584416 0.82
35 3PH 0.584416 0.82
36 1O2 0.580645 0.722222
37 LHG 0.578313 0.823529
38 PEE 0.578313 0.683333
39 PGT 0.578313 0.823529
40 9PE 0.578313 0.694915
41 PX2 0.576923 0.8
42 PX8 0.576923 0.8
43 7P9 0.576923 0.82
44 PEK 0.576087 0.711864
45 P3A 0.576087 0.807692
46 3TF 0.574468 0.722222
47 L9R 0.571429 0.622951
48 POV 0.571429 0.622951
49 6PL 0.564706 0.645161
50 PC7 0.564706 0.645161
51 HGX 0.564706 0.645161
52 P5S 0.564706 0.736842
53 PLD 0.564706 0.645161
54 LIO 0.564706 0.645161
55 HGP 0.564706 0.645161
56 EPH 0.555556 0.711864
57 DB4 0.542169 0.9
58 CN3 0.539326 0.82
59 PD7 0.538462 0.82
60 PIB 0.534884 0.9
61 5P5 0.534884 0.9
62 1L2 0.534653 0.722222
63 XP5 0.523256 0.645161
64 M7U 0.523256 0.82
65 PBU 0.517241 0.9
66 CN6 0.516854 0.82
67 CDL 0.511628 0.745098
68 PGK 0.510638 0.777778
69 DGG 0.510417 0.846154
70 GGD 0.509434 0.727273
71 NKP 0.5 0.803922
72 PCK 0.5 0.615385
73 3PE 0.5 0.627119
74 DLP 0.494949 0.622951
75 44G 0.494118 0.823529
76 44E 0.493671 0.82
77 42H 0.483871 0.666667
78 PSF 0.482759 0.736842
79 S12 0.473118 0.736842
80 MC3 0.472527 0.606557
81 PCF 0.472527 0.606557
82 PC1 0.472527 0.606557
83 OLB 0.469136 0.607843
84 OLC 0.469136 0.607843
85 AGA 0.461538 0.788462
86 PDK 0.457944 0.61194
87 DGA 0.455696 0.6
88 L2C 0.455696 0.6
89 DDR 0.455696 0.6
90 FAW 0.455696 0.6
91 MVC 0.451219 0.607843
92 DGD 0.45098 0.709091
93 SQD 0.44898 0.71875
94 LTC 0.441667 0.61194
95 78N 0.439024 0.607843
96 78M 0.439024 0.607843
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4J7Q; Ligand: B7N; 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: 4j7q.bio3) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4J7Q; Ligand: B7N; 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: 4j7q.bio3) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4J7Q; Ligand: B7N; 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: 4j7q.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4J7Q; Ligand: B7N; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4j7q.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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