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: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 DAH 1 1
2 IYR 0.622222 0.805556
3 NIY 0.571429 0.6
4 AZY 0.528302 0.659091
5 DTY 0.5 0.84375
6 TYR 0.5 0.84375
7 33S 0.469388 0.638889
8 NAL 0.461538 0.657143
9 4CF 0.458333 0.628571
10 PHI 0.456522 0.638889
11 PFF 0.456522 0.638889
12 4BF 0.456522 0.638889
13 DHY 0.454545 0.727273
14 T33 0.451613 0.769231
15 DPN 0.444444 0.6875
16 PHE 0.444444 0.6875
17 4AF 0.4375 0.705882
18 0A1 0.4375 0.771429
19 2LT 0.4375 0.833333
20 E42 0.428571 0.771429
21 TFQ 0.42 0.621622
22 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: 44
This union binding pocket(no: 1) in the query (biounit: 3teg.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZTG A5A 0.0009071 0.44669 1.20482
2 1E1O LYS 0.000001272 0.51346 1.92771
3 1RYD GLC 0.02624 0.40614 2.06718
4 1SES AHX 0.0006859 0.45671 2.16867
5 1SES AMP 0.01684 0.40842 2.16867
6 5VAD 91Y 0.004763 0.41792 2.40964
7 3A5Z KAA 0.00001593 0.51646 2.43902
8 2E5A LAQ 0.005308 0.41185 2.59366
9 3MF2 AMP 0.001954 0.42236 2.60116
10 2XGT NSS 0.00002422 0.46386 2.6506
11 3A7R LAQ 0.01189 0.40511 2.67062
12 2VDF OCT 0.000004279 0.64357 2.7668
13 1X54 4AD 0.00001957 0.51058 2.89157
14 4D42 W0I 0.02002 0.40732 3.19149
15 4D42 NAP 0.02002 0.40732 3.19149
16 2WKQ FMN 0.00835 0.40046 3.31325
17 3ESS 18N 0.02558 0.40176 3.47826
18 4FE2 AIR 0.003925 0.43528 3.52941
19 3HXU A5A 0.0009069 0.42818 3.61446
20 2CJ9 SSA 0.001391 0.42305 3.83142
21 4H2X G5A 0.0007483 0.44604 3.8835
22 4H2W 5GP 0.005403 0.41225 3.8835
23 1WLE SRP 0.0004586 0.4391 4.09639
24 3IAL PR8 0.001426 0.42187 4.09639
25 4CS4 ANP 0.000004091 0.56168 4.37956
26 4CS4 AXZ 0.000006329 0.56168 4.37956
27 3NEM AMO 0.00001583 0.47821 4.57831
28 3BJU ATP 0.0002553 0.42961 4.57831
29 3NEM ATP 0.007068 0.42281 4.57831
30 2G30 ALA ALA PHE 0.0002791 0.50438 5.03876
31 2QHS OCA 0.01031 0.41478 5.06329
32 3A5Y KAA 0.000008189 0.52662 5.21739
33 4H2V AMP 0.001477 0.42558 5.45455
34 2V0U FMN 0.007498 0.4025 5.47945
35 2QHV OC9 0.007597 0.42579 5.71429
36 12AS AMP 0.00005064 0.49697 5.75758
37 3E9I XAH 0.000000551 0.58541 6.0241
38 3QO8 SSA 0.0002394 0.47745 6.0241
39 3REU ATP 0.002546 0.40238 6.12245
40 3CV2 COA 0.01566 0.41602 6.50602
41 1G51 AMO 0.000002304 0.55442 7.41379
42 3ZJX BOG 0.02218 0.4118 13.1488
43 1PVS 7HP 0.004711 0.4304 13.8298
44 2CJU PHX 0.01673 0.40435 15.0442
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