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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: 95
This union binding pocket(no: 1) in the query (biounit: 3teg.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZTG A5A 1.20482
2 3A16 PXO 1.60858
3 4MOB ADP 1.80723
4 1E1O LYS 1.92771
5 4HWS 1B3 1.94647
6 1RYD GLC 2.06718
7 3ERR AMP 2.16867
8 5V59 8X1 2.16867
9 1SES AHX 2.16867
10 1SES AMP 2.16867
11 5NC1 NAG 2.16867
12 5W75 SUC 2.29592
13 1YFS ALA 2.40964
14 5VAD PRO 2.40964
15 5VAD 91Y 2.40964
16 4RF7 ARG 2.40964
17 2Z3U CRR 2.40964
18 3A5Z KAA 2.43902
19 2E5A LAQ 2.59366
20 3MF2 AMP 2.60116
21 2XGT NSS 2.6506
22 4DDY DN6 2.6616
23 3A7R LAQ 2.67062
24 2VDF OCT 2.7668
25 1X54 4AD 2.89157
26 5XIO HFG 3.13253
27 5XIO ANP 3.13253
28 6EK3 OUL 3.16742
29 4D42 W0I 3.19149
30 4D42 NAP 3.19149
31 2WKQ FMN 3.31325
32 4XTX 590 3.33333
33 3ESS 18N 3.47826
34 4FE2 AIR 3.52941
35 3HXU A5A 3.61446
36 4YDQ HFG 3.61446
37 4YDQ ANP 3.61446
38 2QPU QPS 3.7037
39 2QPU QPU 3.7037
40 2CJ9 SSA 3.83142
41 2D24 XYS XYS 3.85542
42 4H2X G5A 3.8835
43 4H2W 5GP 3.8835
44 1WLE SRP 4.09639
45 3IAL PR8 4.09639
46 2I4O ATP 4.33735
47 4CS4 AXZ 4.37956
48 4CS4 ANP 4.37956
49 3NEM AMO 4.57831
50 3BJU ATP 4.57831
51 3NEM ATP 4.57831
52 2CJA ATP 4.81928
53 2G30 ALA ALA PHE 5.03876
54 2QHS OCA 5.06329
55 3A5Y KAA 5.21739
56 1MFI FHC 5.26316
57 5HWV MBN 5.38462
58 4H2V AMP 5.45455
59 2V0U FMN 5.47945
60 4WOE ADP 5.54217
61 3ZXR P3S 5.54217
62 3ZXR IQ1 5.54217
63 4M51 BEZ 5.54217
64 5T8U LPA 5.55556
65 2QHV OC9 5.71429
66 2ART LPA AMP 5.72519
67 1SDW IYT 5.73248
68 12AS AMP 5.75758
69 3E9I XAH 6.0241
70 3QO8 SSA 6.0241
71 3REU ATP 6.12245
72 3G1Z AMP 6.13497
73 3SAO DBH 6.25
74 6FA4 D1W 6.35838
75 5F6U 5VK 6.36943
76 3CV2 COA 6.50602
77 5XIJ ANP 6.74699
78 5XIJ 873 6.74699
79 1ZNY GDP 6.76329
80 1RJW ETF 7.07965
81 1G51 AMO 7.41379
82 1HXD BTN 7.47664
83 3CBC DBS 10.101
84 3H0L ADP 11.7021
85 5D9G GLU ASN LEU TYR PHE GLN 11.7886
86 2GQS C2R 13.0802
87 3ZJX BOG 13.1488
88 5DYO FLU 13.3028
89 1HBK COA 13.4831
90 1PVS 7HP 13.8298
91 5DJT FMN 14.7541
92 5BWD FUM 15
93 2CJU PHX 15.0442
94 4J6W CTP 17.0732
95 1LTT GAL BGC 24.3902
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