Receptor
PDB id Resolution Class Description Source Keywords
1H3F 2 Å EC: 6.1.1.1 TYROSYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH TYROSINOL THERMUS THERMOPHILUS LIGASE AMINOACYL-TRNA SYNTHETASE ATP + L-TYROSINE + TRNA(T>AMP + PPI + L-TYROSYL-TRNA(TY CLASS I AMINOACYL-TRNA SYNTH
Ref.: CLASS I TYROSYL-TRNA SYNTHETASE HAS A CLASS II MODE RECOGNITION EMBO J. V. 21 3829 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:501;
A:502;
A:503;
A:504;
A:505;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
TYE A:1433;
B:1433;
Valid;
Valid;
none;
none;
submit data
167.205 C9 H13 N O2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1H3F 2 Å EC: 6.1.1.1 TYROSYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH TYROSINOL THERMUS THERMOPHILUS LIGASE AMINOACYL-TRNA SYNTHETASE ATP + L-TYROSINE + TRNA(T>AMP + PPI + L-TYROSYL-TRNA(TY CLASS I AMINOACYL-TRNA SYNTH
Ref.: CLASS I TYROSYL-TRNA SYNTHETASE HAS A CLASS II MODE RECOGNITION EMBO J. V. 21 3829 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1H3F - TYE C9 H13 N O2 c1cc(ccc1C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1H3F - TYE C9 H13 N O2 c1cc(ccc1C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1H3F - TYE C9 H13 N O2 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TYE; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 TYE 1 1
2 AEG 0.558824 0.689655
3 TYC 0.487179 0.727273
4 TYR 0.475 0.8
5 DTY 0.475 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1H3F; Ligand: TYE; 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: 1h3f.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1H3F; Ligand: TYE; Similar sites found: 77
This union binding pocket(no: 2) in the query (biounit: 1h3f.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3NIM ARG ARG ALA ALA 0.007101 0.42759 None
2 3LVW GSH 0.01086 0.44218 1.15741
3 1FL2 FAD 0.03251 0.41251 1.93548
4 5J75 6GQ 0.009848 0.41665 2.27273
5 1ZB6 GST 0.04255 0.40743 2.28013
6 2YNE NHW 0.04677 0.43123 2.31481
7 2YNE YNE 0.04677 0.43123 2.31481
8 3IES M24 0.01838 0.43014 2.31481
9 5N9X ATP 0.0142 0.41751 2.31481
10 1R6U TYM 0.01716 0.41156 2.31481
11 3NYQ MCA 0.02435 0.41643 2.5463
12 3C9U ADP 0.01843 0.41129 2.63158
13 4YAG NAI 0.03037 0.42442 2.76817
14 3CV6 NAP 0.0473 0.41217 2.78638
15 3CV6 HXS 0.04893 0.41217 2.78638
16 1NV8 SAM 0.009169 0.43462 2.8169
17 5T2U NAP 0.02792 0.41534 2.82258
18 2R09 4IP 0.01763 0.40079 2.88184
19 3R96 ACO 0.01887 0.42247 3.19149
20 3R96 AMP 0.01887 0.42247 3.19149
21 2IV2 2MD 0.02592 0.41829 3.24074
22 5XDT MB3 0.01163 0.43879 3.24675
23 3ZIU LSS 0.005003 0.44534 3.47222
24 1NE6 SP1 0.01471 0.40844 3.88693
25 5TPR NAD 0.02601 0.41609 3.93519
26 1PNO NAP 0.02575 0.41973 4.16667
27 3ZF8 GDP 0.002111 0.44836 4.2623
28 4FHD 0TT 0.008212 0.44337 4.34783
29 4FHD EEM 0.008212 0.44337 4.34783
30 1LSH PLD 0.003137 0.46999 4.39815
31 4A91 GLU 0.004413 0.41251 4.39815
32 4J75 TYM 0.007502 0.43803 4.40098
33 4DE9 VTP 0.00184 0.48311 4.54545
34 4M69 ANP 0.02193 0.40152 4.59364
35 4HP0 NOJ NAG NAG NAG 0.03317 0.40471 4.65116
36 5KZD RCJ 0.01527 0.41089 4.77816
37 5W4W 9WG 0.0254 0.41681 4.83384
38 2V0C LEU LMS 0.00726 0.43536 5.09259
39 1OMO NAD 0.01399 0.4209 5.09259
40 1L2T ATP 0.04281 0.41577 5.10638
41 2H04 4UN 0.0187 0.40721 5.11182
42 4F0E 0RU 0.009977 0.41291 5.5
43 4U7W NDP 0.02263 0.41672 5.55556
44 5AXH GLC GLC GLC GLC GLC BGC 0.03328 0.40361 5.78704
45 4PFO ADP 0.03632 0.40267 6.01852
46 4NG2 OHN 0.003723 0.45204 6.19469
47 3ACL 3F1 0.02603 0.40429 6.41892
48 4A3U FMN 0.02155 0.40581 6.70391
49 2PA4 UPG 0.02946 0.40716 6.81115
50 5L2J 70E 0.02762 0.44115 7.14286
51 5L2J 6UL 0.02644 0.44115 7.14286
52 2A9K NAD 0.02794 0.40355 7.17489
53 1N4W FAD 0.04592 0.40944 7.17593
54 2PZ8 APC 0.02901 0.402 7.39437
55 5AHW CMP 0.02262 0.40766 7.48299
56 1NB9 RBF 0.04581 0.40216 7.48299
57 1NB9 ADP 0.04581 0.40216 7.48299
58 3G5D 1N1 0.04562 0.41391 7.87037
59 2GZ3 NAP 0.02011 0.42463 9.28962
60 4M7V NAP 0.04063 0.40327 9.71429
61 2BO4 FLC 0.02222 0.41508 10.8312
62 2DTX BMA 0.04961 0.40182 11.3636
63 4LAE 1VM 0.04048 0.4212 11.3772
64 4LAE NAP 0.04048 0.4212 11.3772
65 1J09 GLU 0.02127 0.40853 11.5741
66 2QIE 8CS 0.02803 0.4002 11.6883
67 1G0N PHH 0.01057 0.44718 12.0141
68 1G0N NDP 0.01542 0.4339 12.0141
69 4CS4 AXZ 0.01854 0.43436 14.5985
70 4CS4 ANP 0.01497 0.43436 14.5985
71 1L6O SER LEU LYS LEU MET THR THR VAL 0.006757 0.42703 16.8421
72 3UEC ALA ARG TPO LYS 0.006751 0.41266 18.4932
73 1KGI T4A 0.00657 0.43747 19.685
74 4HIA FMN 0.02493 0.41895 21.0227
75 5XLY C2E 0.03232 0.40377 22.5564
76 2G36 TRP 0.0003863 0.47082 28.8235
77 5T2Z 017 0.01644 0.42344 32.3232
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