Receptor
PDB id Resolution Class Description Source Keywords
5FII 1.8 Å EC: 1.14.16.1 STRUCTURE OF A HUMAN ASPARTATE KINASE, CHORISMATE MUTASE AND TYRA DOMAIN. HOMO SAPIENS OXIDOREDUCTASE TRANSFERASE
Ref.: STRUCTURAL BASIS FOR LIGAND-DEPENDENT DIMERIZATION PHENYLALANINE HYDROXYLASE REGULATORY DOMAIN. SCI.REP. V. 6 23748 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PHE B:901;
D:901;
A:901;
C:901;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
165.189 C9 H11 N O2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FII 1.8 Å EC: 1.14.16.1 STRUCTURE OF A HUMAN ASPARTATE KINASE, CHORISMATE MUTASE AND TYRA DOMAIN. HOMO SAPIENS OXIDOREDUCTASE TRANSFERASE
Ref.: STRUCTURAL BASIS FOR LIGAND-DEPENDENT DIMERIZATION PHENYLALANINE HYDROXYLASE REGULATORY DOMAIN. SCI.REP. V. 6 23748 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5FII - PHE C9 H11 N O2 c1ccc(cc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5FII - PHE C9 H11 N O2 c1ccc(cc1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5FII - PHE C9 H11 N O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PHE; Similar ligands found: 25
No: Ligand ECFP6 Tc MDL keys Tc
1 PHE 1 1
2 DPN 1 1
3 NFA 0.657143 0.666667
4 PBF 0.577778 0.814815
5 TYR 0.564103 0.814815
6 DTY 0.564103 0.814815
7 0A9 0.560976 0.692308
8 4BF 0.55 0.814815
9 PHI 0.55 0.814815
10 PFF 0.55 0.814815
11 0A1 0.52381 0.733333
12 7N8 0.52381 0.666667
13 4AF 0.52381 0.846154
14 ING 0.511628 0.666667
15 4CF 0.511628 0.88
16 TFQ 0.5 0.785714
17 33S 0.488889 0.814815
18 NAL 0.44898 0.846154
19 DAH 0.444444 0.6875
20 E42 0.442308 0.733333
21 BP5 0.433962 0.6875
22 2LT 0.422222 0.647059
23 YOF 0.416667 0.666667
24 IYR 0.416667 0.666667
25 TIH 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FII; Ligand: PHE; 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: 5fii.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5FII; Ligand: PHE; 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: 5fii.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5FII; Ligand: PHE; 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: 5fii.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5FII; Ligand: PHE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5fii.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback