Receptor
PDB id Resolution Class Description Source Keywords
4NP9 1.92 Å NON-ENZYME: OTHER STRUCTURE OF RABPHILIN C2A DOMAIN BOUND TO IP3 RATTUS NORVEGICUS RABPHILIN-3A C2 DOMAIN C2A CALCIUM BINDING SYNAPTIC EXOCMETAL-BINDING PROTEIN TRANSPORT C-2 DOMAIN FOLD EXOPHILI
Ref.: STRUCTURAL INSIGHTS INTO THE CA2+ AND PI(4,5)P2 BIN MODES OF THE C2 DOMAINS OF RABPHILIN 3A AND SYNAPTO PROC.NATL.ACAD.SCI.USA 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
I3P A:601;
 Valid;
 none;
 submit data
420.096 C6 H15 O15 P3 [C@H]...
SO4 A:602;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NS0 1.8 Å NON-ENZYME: OTHER THE C2A DOMAIN OF RABPHILIN 3A IN COMPLEX WITH PI(4,5)P2 RATTUS NORVEGICUS C2 DOMAIN CALCIUM BINDING PHOSPHOLIPID BINDING RABPHILIN-SYNAPTIC EXOCYTOSIS METAL-BINDING PROTEIN TRANSPORT C-2 DFOLD EXOPHILIN-1
Ref.: STRUCTURAL INSIGHTS INTO THE CA2+ AND PI(4,5)P2 BIN MODES OF THE C2 DOMAINS OF RABPHILIN 3A AND SYNAPTO PROC.NATL.ACAD.SCI.USA 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4NP9 - I3P C6 H15 O15 P3 [C@H]1([C@....
2 4NS0 - PIO C25 H49 O19 P3 CCCCCCCC(=....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4NP9 - I3P C6 H15 O15 P3 [C@H]1([C@....
2 4NS0 - PIO C25 H49 O19 P3 CCCCCCCC(=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4NP9 - I3P C6 H15 O15 P3 [C@H]1([C@....
2 4NS0 - PIO C25 H49 O19 P3 CCCCCCCC(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: I3P; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 I3S 1 1
2 I3P 1 1
3 4IP 0.724138 0.966667
4 2IP 0.692308 1
5 I0P 0.678571 0.966667
6 ITP 0.655172 1
7 I4P 0.653846 0.933333
8 IP2 0.642857 1
9 5IP 0.6 0.933333
10 I5P 0.6 0.933333
11 IP5 0.6 0.933333
12 5MY 0.6 0.933333
13 I4D 0.566667 0.966667
14 IBS 0.511111 0.789474
15 I6P 0.481481 0.933333
16 IHP 0.481481 0.933333
Similar Ligands (3D)
Ligand no: 1; Ligand: I3P; Similar ligands found: 1
No: Ligand Similarity coefficient
1 Y3 0.8807
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NS0; Ligand: PIO; 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: 4ns0.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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