Receptor
PDB id Resolution Class Description Source Keywords
5IJJ 1.95 Å NON-ENZYME: OTHER STRUCTURE OF THE SPX DOMAIN OF CHAETOMIUM THERMOPHILUM GLYCEROPHOSPHODIESTER PHOSPHODIESTERASE 1 IN COMPLEX WITH IH EXAKISPHOSPHATE (INSP6) CHAETOMIUM THERMOPHILUM HELICAL BUNDLE ALPHA-HELICAL HAIRPIN INOSITOL PHOSPHATE BIPROTEIN-PROTEIN INTERACTION HYDROLASE INOSITOL POLYPHOSPHBINDING PROTEIN
Ref.: CONTROL OF EUKARYOTIC PHOSPHATE HOMEOSTASIS BY INOS POLYPHOSPHATE SENSOR DOMAINS. SCIENCE V. 352 986 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:502;
A:502;
B:503;
A:501;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
I6P A:500;
B:500;
B:501;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
660.035 C6 H18 O24 P6 C1(C(...
ACT A:503;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5IJJ 1.95 Å NON-ENZYME: OTHER STRUCTURE OF THE SPX DOMAIN OF CHAETOMIUM THERMOPHILUM GLYCEROPHOSPHODIESTER PHOSPHODIESTERASE 1 IN COMPLEX WITH IH EXAKISPHOSPHATE (INSP6) CHAETOMIUM THERMOPHILUM HELICAL BUNDLE ALPHA-HELICAL HAIRPIN INOSITOL PHOSPHATE BIPROTEIN-PROTEIN INTERACTION HYDROLASE INOSITOL POLYPHOSPHBINDING PROTEIN
Ref.: CONTROL OF EUKARYOTIC PHOSPHATE HOMEOSTASIS BY INOS POLYPHOSPHATE SENSOR DOMAINS. SCIENCE V. 352 986 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5IJJ - I6P C6 H18 O24 P6 C1(C(C(C(C....
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 5IJJ - I6P C6 H18 O24 P6 C1(C(C(C(C....
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 5IJJ - I6P C6 H18 O24 P6 C1(C(C(C(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: I6P; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 IHP 1 1
2 I6P 1 1
3 5IP 0.652174 1
4 5MY 0.652174 1
5 IP5 0.652174 1
6 I5P 0.652174 1
7 I0P 0.608696 0.965517
8 I8P 0.6 0.965517
9 2YN 0.6 0.965517
10 I7P 0.6 0.965517
11 I4P 0.571429 1
12 5A2 0.555556 0.8
13 4WZ 0.555556 0.8
14 5A3 0.555556 0.8
15 2IP 0.545455 0.933333
16 4IP 0.538462 0.965517
17 ITP 0.52 0.933333
18 IP2 0.5 0.933333
19 I3S 0.481481 0.933333
20 I3P 0.481481 0.933333
21 I4D 0.48 0.9
22 0EJ 0.46875 0.823529
23 4WY 0.454545 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5IJJ; Ligand: I6P; 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: 5ijj.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5IJJ; Ligand: I6P; 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: 5ijj.bio2) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5IJJ; Ligand: I6P; 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: 5ijj.bio2) has 3 residues
No: Leader PDB Ligand Sequence Similarity
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