Receptor
PDB id Resolution Class Description Source Keywords
4FDU 2.29 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF A MULTIPLE INOSITOL POLYPHOSPHATE PHOSP BACTEROIDES THETAIOTAOMICRON PHOSPHATASE HYDROLASE
Ref.: A BACTERIAL HOMOLOG OF A EUKARYOTIC INOSITOL PHOSPH SIGNALING ENZYME MEDIATES CROSS-KINGDOM DIALOG IN T MAMMALIAN GUT. CELL REP V. 6 646 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:502;
B:503;
A:502;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
IHS A:501;
B:501;
Valid;
Valid;
none;
none;
submit data
660.535 C6 H12 O24 S6 C1(C(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4FDU 2.29 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF A MULTIPLE INOSITOL POLYPHOSPHATE PHOSP BACTEROIDES THETAIOTAOMICRON PHOSPHATASE HYDROLASE
Ref.: A BACTERIAL HOMOLOG OF A EUKARYOTIC INOSITOL PHOSPH SIGNALING ENZYME MEDIATES CROSS-KINGDOM DIALOG IN T MAMMALIAN GUT. CELL REP V. 6 646 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 4FDU - IHS C6 H12 O24 S6 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 261 families.
1 4FDU - IHS C6 H12 O24 S6 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 214 families.
1 4FDU - IHS C6 H12 O24 S6 C1(C(C(C(C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: IHS; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 IHS 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: IHS; Similar ligands found: 5
No: Ligand Similarity coefficient
1 IHP 0.9562
2 I6P 0.9126
3 I7P 0.8730
4 0EJ 0.8700
5 5MY 0.8652
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4FDU; Ligand: IHS; 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: 4fdu.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4FDU; Ligand: IHS; Similar sites found with APoc: 6
This union binding pocket(no: 2) in the query (biounit: 4fdu.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5CDH TLA 4.7619
2 5CDH TLA 4.7619
3 5CDH TLA 4.7619
4 5CDH TLA 4.7619
5 5CDH TLA 4.7619
6 5CDH TLA 4.7619
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