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: 23
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 PFF 0.55 0.814815
9 4BF 0.55 0.814815
10 PHI 0.55 0.814815
11 4AF 0.52381 0.846154
12 0A1 0.52381 0.733333
13 4CF 0.511628 0.88
14 ING 0.511628 0.666667
15 TFQ 0.5 0.785714
16 33S 0.488889 0.814815
17 NAL 0.44898 0.846154
18 DAH 0.444444 0.6875
19 E42 0.442308 0.733333
20 BP5 0.433962 0.6875
21 2LT 0.422222 0.647059
22 IYR 0.416667 0.666667
23 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: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5FII; Ligand: PHE; Similar sites found: 20
This union binding pocket(no: 2) in the query (biounit: 5fii.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2DT9 THR 0.00001826 0.52387 None
2 1NU4 MLA 0.0002331 0.46734 None
3 5L3S G 0.01175 0.40835 None
4 3TW1 AHN 0.009868 0.40789 None
5 4D52 GXL 0.01323 0.40219 None
6 5X40 ACP 0.0196 0.41097 3.92157
7 2J5V PCA 0.001614 0.46687 4.90196
8 3FIU POP 0.01387 0.4007 4.90196
9 5J6H NCA 0.007748 0.40618 6
10 4G86 BNT 0.006328 0.42193 6.86275
11 5JBE MAL 0.007086 0.41665 6.86275
12 4IJP 1EH 0.01288 0.41708 7.84314
13 4OVZ P85 0.005631 0.41676 10.7843
14 4N14 WR7 0.0175 0.40194 10.7843
15 4OW0 S88 0.01219 0.40182 10.7843
16 2DTJ THR 0.000003889 0.54061 14.7059
17 3AB4 THR 0.00001175 0.53284 14.7059
18 3AB4 LYS 0.001844 0.41992 14.7059
19 2OG2 MLI 0.01166 0.4133 17.6471
20 3B9Q MLI 0.02304 0.40005 17.6471
Pocket No.: 3; Query (leader) PDB : 5FII; Ligand: PHE; Similar sites found: 4
This union binding pocket(no: 3) in the query (biounit: 5fii.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F8L AES 0.01042 0.41108 2.94118
2 1M26 GAL A2G 0.0183 0.40319 2.94118
3 1ATL 0QI 0.02728 0.40418 5.88235
4 3GJX GTP 0.03778 0.40323 14.7059
Pocket No.: 4; Query (leader) PDB : 5FII; Ligand: PHE; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback