Receptor
PDB id Resolution Class Description Source Keywords
1TYD 2.5 Å EC: 6.1.1.1 STRUCTURE OF TYROSYL-TRNA SYNTHETASE REFINED AT 2.3 ANGSTROM RESOLUTION. INTERACTION OF THE ENZYME WITH THE TYROSYL ADENI NTERMEDIATE GEOBACILLUS STEAROTHERMOPHILUS AMINOACYL-TRNA SYNTHASE
Ref.: STRUCTURE OF TYROSYL-TRNA SYNTHETASE REFINED AT 2.3 RESOLUTION. INTERACTION OF THE ENZYME WITH THE TYRO ADENYLATE INTERMEDIATE. J.MOL.BIOL. V. 208 83 1989
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TYR E:320;
Valid;
none;
submit data
181.189 C9 H11 N O3 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4TS1 2.5 Å EC: 6.1.1.1 CRYSTAL STRUCTURE OF A DELETION MUTANT OF A TYROSYL-T/RNA SYNTHETASE COMPLEXED WITH TYROSINE GEOBACILLUS STEAROTHERMOPHILUS LIGASE (SYNTHETASE)
Ref.: CRYSTAL STRUCTURE OF A DELETION MUTANT OF A TYROSYL-TRNA SYNTHETASE COMPLEXED WITH TYROSINE. J.MOL.BIOL. V. 194 287 1987
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1TYB - TYR C9 H11 N O3 c1cc(ccc1C....
2 4TS1 Kd = 11.6 uM TYR C9 H11 N O3 c1cc(ccc1C....
3 1TYD - TYR C9 H11 N O3 c1cc(ccc1C....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1WQ4 - TYR C9 H11 N O3 c1cc(ccc1C....
2 2YXN - AZY C9 H10 N4 O3 c1cc(c(cc1....
3 1WQ3 - IYR C9 H10 I N O3 c1cc(c(cc1....
4 1X8X - TYR C9 H11 N O3 c1cc(ccc1C....
5 1TYB - TYR C9 H11 N O3 c1cc(ccc1C....
6 4TS1 Kd = 11.6 uM TYR C9 H11 N O3 c1cc(ccc1C....
7 1TYD - TYR C9 H11 N O3 c1cc(ccc1C....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1WQ4 - TYR C9 H11 N O3 c1cc(ccc1C....
2 2YXN - AZY C9 H10 N4 O3 c1cc(c(cc1....
3 1WQ3 - IYR C9 H10 I N O3 c1cc(c(cc1....
4 1X8X - TYR C9 H11 N O3 c1cc(ccc1C....
5 1Y42 - TYR C9 H11 N O3 c1cc(ccc1C....
6 1JIL ic50 = 4 nM 485 C17 H24 N2 O8 C[C@@H]1[C....
7 2PID - YSA C19 H23 N7 O8 S c1cc(ccc1C....
8 1TYB - TYR C9 H11 N O3 c1cc(ccc1C....
9 4TS1 Kd = 11.6 uM TYR C9 H11 N O3 c1cc(ccc1C....
10 1TYD - TYR C9 H11 N O3 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TYR; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 DTY 1 1
2 TYR 1 1
3 TYC 0.694444 0.78125
4 PFF 0.657895 0.741935
5 PHI 0.615385 0.741935
6 4BF 0.615385 0.741935
7 TFQ 0.595238 0.666667
8 0A1 0.585366 0.9
9 4AF 0.585366 0.827586
10 4CF 0.571429 0.733333
11 DPN 0.564103 0.814815
12 PHE 0.564103 0.814815
13 34H 0.564103 0.666667
14 PBF 0.531915 0.8
15 PTR 0.521739 0.675
16 AEG 0.513514 0.689655
17 DAH 0.5 0.84375
18 3NF 0.478261 0.764706
19 TYE 0.475 0.8
20 IYR 0.468085 0.818182
21 4HP 0.447368 0.642857
22 2LT 0.444444 0.794118
23 485 0.442623 0.613636
24 E42 0.433962 0.9
25 33S 0.416667 0.741935
26 HPP 0.414634 0.655172
27 NAL 0.411765 0.766667
28 AZY 0.4 0.658537
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4TS1; Ligand: TYR; Similar sites found: 47
This union binding pocket(no: 1) in the query (biounit: 4ts1.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1C4Q GLA GAL BGC 0.04615 0.4308 None
2 3ZZS TRP 0.01682 0.40353 None
3 4DE9 VTP 0.0201 0.41998 2.0979
4 3R96 ACO 0.03451 0.41376 2.12766
5 3R96 AMP 0.03451 0.41376 2.12766
6 4HIA FMN 0.005135 0.45653 2.27273
7 2ART LPA AMP 0.04008 0.4092 2.29008
8 4A91 GLU 0.006874 0.40502 2.34899
9 2C91 NAP 0.03616 0.41064 2.50784
10 4I54 1C1 0.04271 0.40237 2.50784
11 2XXP DSL 0.03991 0.4304 2.82132
12 4CS4 ANP 0.03785 0.4125 2.91971
13 1WPY BTN 0.02137 0.41476 2.97872
14 3IES M24 0.03781 0.40958 3.1348
15 1MV8 GDX 0.03483 0.40082 3.1348
16 1YKD CMP 0.0184 0.40553 3.44828
17 3C3N FMN 0.04882 0.40448 3.84615
18 1TF9 PHI 0.01238 0.408 3.87324
19 3UIE ADX 0.01422 0.40718 4
20 3H7R NAP 0.0402 0.40262 5.01567
21 3QDL FMN 0.02281 0.40754 5.2381
22 5LRT ADP 0.01444 0.42093 5.32915
23 3ACL 3F1 0.01408 0.40948 5.40541
24 2E5A LAQ 0.0247 0.41272 5.64263
25 2BP1 NDP 0.0393 0.40866 5.64263
26 4EN4 GT0 0.03792 0.41246 6.41026
27 4EN4 GT1 0.03792 0.41246 6.41026
28 4EN4 ATP 0.03792 0.41246 6.41026
29 4FAJ LEU VAL THR LEU VAL PHE VAL 0.04549 0.40415 6.89655
30 1R6T TYM 0.007215 0.4508 7.21003
31 3LVW GSH 0.01168 0.43838 7.21003
32 1R6U TYM 0.02844 0.40547 7.21003
33 2CM4 RCL 0.01789 0.41143 7.33333
34 4PW9 MSS 0.02182 0.40696 7.54717
35 5D2H AKG 0.01414 0.40939 8.83392
36 4J75 TYM 0.007139 0.44129 9.09091
37 3ZF8 GDP 0.002019 0.44451 9.18033
38 4CL6 7SB 0.02548 0.40346 11.1111
39 4NG2 OHN 0.02207 0.40828 11.413
40 5DJT FMN 0.02323 0.40218 11.4754
41 2QTR NXX 0.01739 0.42794 11.6402
42 3IX8 TX3 0.03032 0.40537 12.1387
43 3EWK FAD 0.02229 0.40309 12.3348
44 4TW7 37K 0.02756 0.40757 12.5
45 5J75 6GQ 0.009406 0.41832 16.2879
46 4TO8 FLC 0.012 0.40458 16.4384
47 2G36 TRP 0.0005159 0.45715 25.3918
Pocket No.: 2; Query (leader) PDB : 4TS1; Ligand: TYR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4ts1.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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