Receptor
PDB id Resolution Class Description Source Keywords
3TEG 2.2 Å EC: 6.1.1.20 BACTERIAL AND EUKARYOTIC PHENYLALANYL-TRNA SYNTHETASES CATAL MISAMINOACYLATION OF TRNAPHE WITH 3,4-DIHYDROXY-L-PHENYLALAD OPA) HOMO SAPIENS DOPA L-DOPA TRNA LIGASE
Ref.: BACTERIAL AND EUKARYOTIC PHENYLALANYL-TRNA SYNTHETA CATALYZE MISAMINOACYLATION OF TRNA(PHE) WITH 3,4-DIHYDROXY-L-PHENYLALANINE. CHEM.BIOL. V. 18 1221 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DAH A:416;
Valid;
none;
submit data
197.188 C9 H11 N O4 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TEG 2.2 Å EC: 6.1.1.20 BACTERIAL AND EUKARYOTIC PHENYLALANYL-TRNA SYNTHETASES CATAL MISAMINOACYLATION OF TRNAPHE WITH 3,4-DIHYDROXY-L-PHENYLALAD OPA) HOMO SAPIENS DOPA L-DOPA TRNA LIGASE
Ref.: BACTERIAL AND EUKARYOTIC PHENYLALANYL-TRNA SYNTHETA CATALYZE MISAMINOACYLATION OF TRNA(PHE) WITH 3,4-DIHYDROXY-L-PHENYLALANINE. CHEM.BIOL. V. 18 1221 2011
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5MGH - PHE C9 H11 N O2 c1ccc(cc1)....
2 5MGW - PHE C9 H11 N O2 c1ccc(cc1)....
3 5MGU - PHE C9 H11 N O2 c1ccc(cc1)....
4 3CMQ - FA5 C19 H23 N6 O8 P c1ccc(cc1)....
5 3TEG - DAH C9 H11 N O4 c1cc(c(cc1....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5MGH - PHE C9 H11 N O2 c1ccc(cc1)....
2 5MGW - PHE C9 H11 N O2 c1ccc(cc1)....
3 5MGU - PHE C9 H11 N O2 c1ccc(cc1)....
4 3CMQ - FA5 C19 H23 N6 O8 P c1ccc(cc1)....
5 3TEG - DAH C9 H11 N O4 c1cc(c(cc1....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5MGH - PHE C9 H11 N O2 c1ccc(cc1)....
2 5MGW - PHE C9 H11 N O2 c1ccc(cc1)....
3 5MGU - PHE C9 H11 N O2 c1ccc(cc1)....
4 3CMQ - FA5 C19 H23 N6 O8 P c1ccc(cc1)....
5 3TEG - DAH C9 H11 N O4 c1cc(c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DAH; Similar ligands found: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 DAH 1 1
2 IYR 0.622222 0.805556
3 YOF 0.622222 0.805556
4 NIY 0.571429 0.6
5 AZY 0.528302 0.659091
6 TYR 0.5 0.84375
7 7N8 0.5 0.625
8 DTY 0.5 0.84375
9 33S 0.469388 0.638889
10 NAL 0.461538 0.657143
11 4CF 0.458333 0.628571
12 4BF 0.456522 0.638889
13 PHI 0.456522 0.638889
14 PFF 0.456522 0.638889
15 DHY 0.454545 0.727273
16 T33 0.451613 0.769231
17 PHE 0.444444 0.6875
18 DPN 0.444444 0.6875
19 4AF 0.4375 0.705882
20 0A1 0.4375 0.771429
21 2LT 0.4375 0.833333
22 E42 0.428571 0.771429
23 TFQ 0.42 0.621622
24 ROA 0.40625 0.631579
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TEG; Ligand: DAH; 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: 3teg.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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