Receptor
PDB id Resolution Class Description Source Keywords
4INQ 2.2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF OSH3 ORD IN COMPLEX WITH PI(4)P FROM SACCHAROMYCES CEREVISIAE SACCHAROMYCES CEREVISIAE BETA BARREL LIPID TRANSPORT PI(4)P LIPID BINDING PROTEIN
Ref.: STRUCTURE OF OSH3 REVEALS A CONSERVED MODE OF PHOSPHOINOSITIDE BINDING IN OXYSTEROL-BINDING PROTE STRUCTURE V. 21 1203 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PIF A:1001;
Valid;
none;
submit data
666.587 C25 H48 O16 P2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4INQ 2.2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF OSH3 ORD IN COMPLEX WITH PI(4)P FROM SACCHAROMYCES CEREVISIAE SACCHAROMYCES CEREVISIAE BETA BARREL LIPID TRANSPORT PI(4)P LIPID BINDING PROTEIN
Ref.: STRUCTURE OF OSH3 REVEALS A CONSERVED MODE OF PHOSPHOINOSITIDE BINDING IN OXYSTEROL-BINDING PROTE STRUCTURE V. 21 1203 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 4INQ - PIF C25 H48 O16 P2 CCCCCCCC(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 4INQ - PIF C25 H48 O16 P2 CCCCCCCC(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 4INQ - PIF C25 H48 O16 P2 CCCCCCCC(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PIF; Similar ligands found: 102
No: Ligand ECFP6 Tc MDL keys Tc
1 PIF 1 1
2 PIO 0.873239 1
3 52N 0.873239 1
4 PII 0.855072 0.979592
5 IP9 0.821918 0.979592
6 PIZ 0.810811 0.979592
7 B7N 0.75641 0.96
8 DB4 0.728571 0.938776
9 T7X 0.674419 0.96
10 PBU 0.644737 0.938776
11 F57 0.642857 0.857143
12 6PH 0.642857 0.857143
13 3PH 0.642857 0.857143
14 7PH 0.642857 0.857143
15 LPP 0.642857 0.857143
16 I35 0.635135 0.918367
17 7P9 0.633803 0.857143
18 CD4 0.626667 0.82
19 5P5 0.623377 0.938776
20 8SP 0.623377 0.736842
21 PIB 0.623377 0.938776
22 PA8 0.619718 0.8
23 PTY 0.618421 0.694915
24 PEH 0.618421 0.694915
25 PEF 0.618421 0.694915
26 3PE 0.618421 0.694915
27 PEV 0.618421 0.694915
28 8PE 0.618421 0.694915
29 PC7 0.615385 0.645161
30 LIO 0.615385 0.645161
31 HGP 0.615385 0.645161
32 PX4 0.615385 0.645161
33 PLD 0.615385 0.645161
34 P5S 0.615385 0.736842
35 HGX 0.615385 0.645161
36 6PL 0.615385 0.645161
37 PD7 0.614286 0.857143
38 PX8 0.611111 0.8
39 PX2 0.611111 0.8
40 9PE 0.61039 0.694915
41 PEE 0.61039 0.683333
42 LHG 0.61039 0.823529
43 PGT 0.61039 0.823529
44 XP5 0.589744 0.645161
45 D21 0.56962 0.84
46 M7U 0.56962 0.857143
47 PIE 0.568182 0.901961
48 CN3 0.566265 0.82
49 44E 0.56338 0.857143
50 6OU 0.552941 0.683333
51 L9Q 0.552941 0.683333
52 LOP 0.552941 0.683333
53 PCW 0.551724 0.634921
54 RXY 0.546512 0.683333
55 D3D 0.546512 0.807692
56 PGW 0.546512 0.807692
57 P50 0.545455 0.706897
58 HXG 0.544304 0.645161
59 PSF 0.544304 0.736842
60 CN6 0.542169 0.82
61 PGV 0.54023 0.807692
62 DR9 0.54023 0.807692
63 PCK 0.539326 0.615385
64 44G 0.538462 0.823529
65 CDL 0.5375 0.745098
66 P6L 0.534091 0.807692
67 PGK 0.534091 0.777778
68 DGG 0.533333 0.846154
69 PG8 0.530864 0.788462
70 OZ2 0.52809 0.807692
71 ZPE 0.522727 0.683333
72 PC1 0.511905 0.606557
73 PCF 0.511905 0.606557
74 MC3 0.511905 0.606557
75 PSC 0.510638 0.634921
76 GP7 0.505376 0.683333
77 PDK 0.50505 0.61194
78 PEK 0.5 0.683333
79 AGA 0.5 0.788462
80 3PI 0.482353 0.9
81 L2C 0.479452 0.6
82 DDR 0.479452 0.6
83 DGA 0.479452 0.6
84 1EM 0.479452 0.6
85 FAW 0.479452 0.6
86 DGD 0.46875 0.709091
87 1O2 0.458333 0.690909
88 3TF 0.453608 0.690909
89 P3A 0.452632 0.773585
90 SQD 0.451613 0.71875
91 4PT 0.444444 0.882353
92 NKO 0.428571 0.82
93 NKN 0.428571 0.82
94 EPH 0.427184 0.683333
95 1L2 0.423077 0.690909
96 LPC 0.418605 0.650794
97 LAP 0.418605 0.650794
98 K6G 0.418605 0.650794
99 LP3 0.418605 0.650794
100 LPX 0.416667 0.677966
101 FQT 0.409091 0.604938
102 GGD 0.40367 0.696429
Similar Ligands (3D)
Ligand no: 1; Ligand: PIF; 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 : 4INQ; Ligand: PIF; 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: 4inq.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback