Receptor
PDB id Resolution Class Description Source Keywords
5C79 1.6 Å NON-ENZYME: OTHER PH DOMAIN OF ASAP1 IN COMPLEX WITH DIC4-PTDINS(4,5)P2 MUS MUSCULUS PH DOMAIN DIC4-PTDINS(4 5)P2 SIGNALING PROTEIN
Ref.: MOLECULAR BASIS FOR COOPERATIVE BINDING OF ANIONIC PHOSPHOLIPIDS TO THE PH DOMAIN OF THE ARF GAP ASAP1 STRUCTURE V. 23 1977 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL B:501;
Invalid;
none;
submit data
35.453 Cl [Cl-]
PBU B:502;
B:503;
A:800;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 7 uM
634.354 C17 H33 O19 P3 CCCC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5C79 1.6 Å NON-ENZYME: OTHER PH DOMAIN OF ASAP1 IN COMPLEX WITH DIC4-PTDINS(4,5)P2 MUS MUSCULUS PH DOMAIN DIC4-PTDINS(4 5)P2 SIGNALING PROTEIN
Ref.: MOLECULAR BASIS FOR COOPERATIVE BINDING OF ANIONIC PHOSPHOLIPIDS TO THE PH DOMAIN OF THE ARF GAP ASAP1 STRUCTURE V. 23 1977 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5C79 Kd = 7 uM PBU 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 5C79 Kd = 7 uM PBU 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 5C79 Kd = 7 uM PBU C17 H33 O19 P3 CCCC(=O)OC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PBU; Similar ligands found: 41
No: Ligand ECFP6 Tc MDL keys Tc
1 PBU 1 1
2 DB4 0.84127 1
3 5P5 0.818182 1
4 PIB 0.818182 1
5 I35 0.8125 0.978261
6 52N 0.753425 0.938776
7 PIO 0.753425 0.938776
8 PIF 0.644737 0.938776
9 IP9 0.641026 0.918367
10 PIZ 0.632911 0.918367
11 4PT 0.602564 0.9375
12 PII 0.576923 0.918367
13 3PI 0.571429 0.957447
14 B7N 0.517241 0.9
15 T7X 0.478723 0.9
16 IBS 0.450704 0.787234
17 PSF 0.444444 0.684211
18 44E 0.432432 0.795918
19 8SP 0.428571 0.684211
20 P5S 0.423529 0.684211
21 PD7 0.421053 0.795918
22 CN3 0.420455 0.76
23 44G 0.419753 0.764706
24 CN6 0.413793 0.76
25 6PH 0.410256 0.795918
26 7PH 0.410256 0.795918
27 LPP 0.410256 0.795918
28 3PH 0.410256 0.795918
29 F57 0.410256 0.795918
30 CD4 0.409639 0.76
31 7P9 0.405063 0.795918
32 PEH 0.404762 0.644068
33 PTY 0.404762 0.644068
34 PEF 0.404762 0.644068
35 8PE 0.404762 0.644068
36 PEV 0.404762 0.644068
37 3PE 0.404762 0.644068
38 LHG 0.4 0.764706
39 PGT 0.4 0.764706
40 PEE 0.4 0.633333
41 9PE 0.4 0.644068
Similar Ligands (3D)
Ligand no: 1; Ligand: PBU; 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 : 5C79; Ligand: PBU; 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: 5c79.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5C79; Ligand: PBU; 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: 5c79.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5C79; Ligand: PBU; 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: 5c79.bio2) has 4 residues
No: Leader PDB Ligand Sequence Similarity
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