Receptor
PDB id Resolution Class Description Source Keywords
6KOJ 2.14 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SNX11-PXE DOMAIN IN COMPLEX WITH PI(3,5 HOMO SAPIENS SORTING NEXIN PROTEIN TRANSPORT PHOX-HOMOLOGY DOMAIN
Ref.: MOLECULAR BASIS FOR PI(3,5)P2RECOGNITION BY SNX11, INVOLVED IN LYSOSOMAL DEGRADATION AND ENDOSOME HOME REGULATION. J.MOL.BIOL. V. 432 4750 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
I35 B:201;
A:201;
 Valid;
Valid;
 none;
none;
 submit data
634.354 C17 H33 O19 P3 CCCC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6KOJ 2.14 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SNX11-PXE DOMAIN IN COMPLEX WITH PI(3,5 HOMO SAPIENS SORTING NEXIN PROTEIN TRANSPORT PHOX-HOMOLOGY DOMAIN
Ref.: MOLECULAR BASIS FOR PI(3,5)P2RECOGNITION BY SNX11, INVOLVED IN LYSOSOMAL DEGRADATION AND ENDOSOME HOME REGULATION. J.MOL.BIOL. V. 432 4750 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6KOJ - I35 C17 H33 O19 P3 CCCC(=O)OC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6KOJ - I35 C17 H33 O19 P3 CCCC(=O)OC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6KOJ - I35 C17 H33 O19 P3 CCCC(=O)OC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: I35; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 I35 1 1
2 PIB 0.870968 0.978261
3 5P5 0.870968 0.978261
4 DB4 0.866667 0.978261
5 PBU 0.8125 0.978261
6 3PI 0.695652 0.978261
7 PIF 0.635135 0.918367
8 IP9 0.631579 0.9375
9 PIZ 0.623377 0.9375
10 52N 0.61039 0.918367
11 PIO 0.61039 0.918367
12 4PT 0.592105 0.957447
13 PII 0.565789 0.897959
14 B7N 0.505882 0.88
15 T7X 0.467391 0.88
16 44E 0.43662 0.8125
17 CN6 0.433735 0.77551
18 PSF 0.43038 0.666667
19 HXG 0.43038 0.606557
20 PD7 0.424658 0.8125
21 CN3 0.423529 0.77551
22 44G 0.423077 0.745098
23 XP5 0.419753 0.606557
24 8SP 0.414634 0.666667
25 7PH 0.413333 0.8125
26 6PH 0.413333 0.8125
27 3PH 0.413333 0.8125
28 LPP 0.413333 0.8125
29 F57 0.413333 0.8125
30 CD4 0.4125 0.77551
31 LIO 0.409639 0.606557
32 PC7 0.409639 0.606557
33 P5S 0.409639 0.666667
34 HGX 0.409639 0.606557
35 HGP 0.409639 0.606557
36 6PL 0.409639 0.606557
37 PX4 0.409639 0.606557
38 PLD 0.409639 0.606557
39 7P9 0.407895 0.8125
40 PEV 0.407407 0.655172
41 PTY 0.407407 0.655172
42 PEF 0.407407 0.655172
43 8PE 0.407407 0.655172
44 3PE 0.407407 0.655172
45 PEH 0.407407 0.655172
46 9PE 0.402439 0.655172
47 LHG 0.402439 0.745098
48 PEE 0.402439 0.644068
49 PGT 0.402439 0.745098
Similar Ligands (3D)
Ligand no: 1; Ligand: I35; 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 : 6KOJ; Ligand: I35; 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: 6koj.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6KOJ; Ligand: I35; 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: 6koj.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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