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 1443 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 1205 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 1039 families.
1 5C79 Kd = 7 uM PBU C17 H33 O19 P3 CCCC(=O)OC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PBU; Similar ligands found: 38
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 52N 0.753425 0.938776
6 PIO 0.753425 0.938776
7 PIF 0.644737 0.938776
8 IP9 0.641026 0.918367
9 PIZ 0.632911 0.918367
10 4PT 0.602564 0.9375
11 PII 0.576923 0.918367
12 3PI 0.571429 0.957447
13 B7N 0.517241 0.9
14 T7X 0.478723 0.9
15 IBS 0.450704 0.787234
16 PSF 0.444444 0.684211
17 44E 0.432432 0.795918
18 P5S 0.423529 0.684211
19 PD7 0.421053 0.795918
20 CN3 0.420455 0.76
21 44G 0.419753 0.764706
22 CN6 0.413793 0.76
23 6PH 0.410256 0.795918
24 LPP 0.410256 0.795918
25 F57 0.410256 0.795918
26 3PH 0.410256 0.795918
27 7PH 0.410256 0.795918
28 CD4 0.409639 0.76
29 7P9 0.405063 0.795918
30 8PE 0.404762 0.644068
31 PEF 0.404762 0.644068
32 PEH 0.404762 0.644068
33 PTY 0.404762 0.644068
34 PEV 0.404762 0.644068
35 PEE 0.4 0.633333
36 LHG 0.4 0.764706
37 9PE 0.4 0.644068
38 PGT 0.4 0.764706
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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