Receptor
PDB id Resolution Class Description Source Keywords
2UVM 1.94 Å EC: 2.7.1.- STRUCTURE OF PKBALPHA PH DOMAIN IN COMPLEX WITH A NOVEL INOSITOL HEADGROUP SURROGATE, BENZENE 1,2,3,4- T ETRAKISPHOSPHATE HOMO SAPIENS TRANSFERASE GLYCOGEN BIOSYNTHESIS TRANSLATION REGULATION SERINE/THREONINE-PROTEIN KINASE PHOSPHOINOSITIDE PROTEIN KINASE B GLUCOSE METABOLISM NUCLEAR PROTEIN CELL SIGNALLING PHOSPHORYLATION NUCLEOTIDE-BINDING GLYCOGEN METABOLISM KINASE CANCER INOSITOL APOPTOSIS TRANSPORT CARBOHYDRATE METABOLISM PH DOMAIN ATP-BINDING SUGAR TRANSPORT
Ref.: NOVEL INOSITOL PHOSPHOLIPID HEADGROUP SURROGATE CRYSTALLISED IN THE PLECKSTRIN HOMOLOGY DOMAIN OF PROTEIN KINASE BALPHA. ACS CHEM.BIOL. V. 2 242 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GVF A:1116;
Valid;
none;
submit data
462.029 C6 H10 O16 P4 c1cc(...
NA A:1117;
Invalid;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UNQ 0.98 Å EC: 2.7.1.- HIGH RESOLUTION CRYSTAL STRUCTURE OF THE PLECKSTRIN HOMOLOGY PROTEIN KINASE B/AKT BOUND TO INS(1,3,4,5)-TETRAKISPHOPHATE HOMO SAPIENS TRANSFERASE PLECKSTRIN HOMOLOGY DOMAIN PKB AKT PHOSPHOINSERINE/THREONINE-PROTEIN KINASE ATP-BINDING PHOSPHORYLATINUCLEAR PROTEIN
Ref.: BINDING OF PHOSPHATIDYLINOSITOL 3,4,5-TRISPHOSPHATE PLECKSTRIN HOMOLOGY DOMAIN OF PROTEIN KINASE B INDU CONFORMATIONAL CHANGE. BIOCHEM. J. V. 375 531 2003
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1H10 - 4IP C6 H16 O18 P4 [C@H]1([C@....
2 1UNQ - 4IP C6 H16 O18 P4 [C@H]1([C@....
3 2UVM - GVF C6 H10 O16 P4 c1cc(c(c(c....
4 2UZS - 4IP C6 H16 O18 P4 [C@H]1([C@....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1H10 - 4IP C6 H16 O18 P4 [C@H]1([C@....
2 1UNQ - 4IP C6 H16 O18 P4 [C@H]1([C@....
3 2UVM - GVF C6 H10 O16 P4 c1cc(c(c(c....
4 2UZS - 4IP C6 H16 O18 P4 [C@H]1([C@....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1H10 - 4IP C6 H16 O18 P4 [C@H]1([C@....
2 1UNQ - 4IP C6 H16 O18 P4 [C@H]1([C@....
3 2UVM - GVF C6 H10 O16 P4 c1cc(c(c(c....
4 2UZS - 4IP C6 H16 O18 P4 [C@H]1([C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GVF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 GVF 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: GVF; 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 : 1UNQ; Ligand: 4IP; 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: 1unq.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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