Receptor
PDB id Resolution Class Description Source Keywords
2CYC 2.2 Å EC: 6.1.1.1 CRYSTAL STRUCTURE OF TYROSYL-TRNA SYNTHETASE COMPLEXED WITH FROM PYROCOCCUS HORIKOSHII PYROCOCCUS HORIKOSHII TYROSINE TYRRS AMINOACYLATION STRUCTURAL GENOMICS NPPSFANATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYRIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI LIGA
Ref.: CRYSTAL STRUCTURES OF TYROSYL-TRNA SYNTHETASES FROM J.MOL.BIOL. V. 355 395 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TYR A:701;
B:801;
 Valid;
Valid;
 none;
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
2CYC 2.2 Å EC: 6.1.1.1 CRYSTAL STRUCTURE OF TYROSYL-TRNA SYNTHETASE COMPLEXED WITH FROM PYROCOCCUS HORIKOSHII PYROCOCCUS HORIKOSHII TYROSINE TYRRS AMINOACYLATION STRUCTURAL GENOMICS NPPSFANATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYRIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI LIGA
Ref.: CRYSTAL STRUCTURES OF TYROSYL-TRNA SYNTHETASES FROM J.MOL.BIOL. V. 355 395 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 2CYC - TYR C9 H11 N O3 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 2CYC - TYR C9 H11 N O3 c1cc(ccc1C....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2CYB - TYR C9 H11 N O3 c1cc(ccc1C....
2 4NX2 - 2LT C9 H9 Cl2 N O3 c1c(cc(c(c....
3 3QE4 - 4CF C10 H10 N2 O2 c1cc(ccc1C....
4 4NDA - NIY C9 H10 N2 O5 c1cc(c(cc1....
5 3D6V - TFQ C11 H12 F3 N O2 c1cc(ccc1C....
6 2AG6 - 4BF C9 H10 Br N O2 c1cc(ccc1C....
7 3D6U - T11 C11 H12 F3 N3 O2 c1cc(ccc1C....
8 4PBT - 2LQ C18 H24 N2 O3 c1cc(ccc1C....
9 2HGZ - PBF C16 H15 N O3 c1ccc(cc1)....
10 4PBR - 2L7 C13 H17 Br N2 O3 CC(C)(C(=O....
11 5L7P - BUU C16 H16 N2 O6 c1ccc(c(c1....
12 2PXH - BP5 C13 H13 N3 O2 c1ccnc(c1)....
13 3N2Y - TEF C10 H11 N5 O2 c1cc(ccc1C....
14 1ZH6 - 4AF C11 H13 N O3 CC(=O)c1cc....
15 4PBS - 2L7 C13 H17 Br N2 O3 CC(C)(C(=O....
16 1ZH0 - NAL C13 H13 N O2 c1ccc2cc(c....
17 2CYC - TYR C9 H11 N O3 c1cc(ccc1C....
18 1Q11 - TYE C9 H13 N O2 c1cc(ccc1C....
19 5THH - TYR C9 H11 N O3 c1cc(ccc1C....
20 3VGJ - YAP C19 H23 N6 O9 P c1cc(ccc1C....
21 2J5B - TYE C9 H13 N O2 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 : 2CYC; Ligand: TYR; Similar sites found: 69
This union binding pocket(no: 1) in the query (biounit: 2cyc.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PVN MZP 0.009386 0.44872 1.06667
2 4PW3 MSS 0.02004 0.40935 1.35501
3 4HIA FMN 0.008892 0.44533 1.70455
4 1H82 GZZ 0.04939 0.42235 1.86667
5 1H82 FAD 0.04384 0.42235 1.86667
6 1E5D FMN 0.009762 0.43048 2.4
7 2BVL GLC 0.02412 0.40906 2.66667
8 2BVL UDP 0.02412 0.40906 2.66667
9 4QYS PLR 0.01321 0.40792 2.93333
10 5W4W 9WG 0.01893 0.41555 3.02115
11 5LRT ADP 0.0172 0.42006 3.2
12 1NV8 MEQ 0.04305 0.40072 3.52113
13 1NV8 SAM 0.04525 0.40072 3.52113
14 2ADA HPR 0.02467 0.40121 3.69318
15 3LVW GSH 0.0361 0.41462 4
16 3B1Q NOS 0.02556 0.40156 4
17 3IX8 TX3 0.00137 0.47941 4.04624
18 3ND6 ATP 0.01707 0.42866 4.09357
19 1O6B ADP 0.006167 0.41997 4.14201
20 4ZSY RW2 0.02656 0.40287 4.26667
21 3GZ8 APR 0.0323 0.401 4.32099
22 3P3G 3P3 0.002093 0.47085 4.33333
23 3P3G UKW 0.002093 0.47085 4.33333
24 3ACL 3F1 0.01087 0.41875 4.39189
25 5UKL SIX 0.02496 0.41162 4.53333
26 2NNQ T4B 0.00478 0.46312 4.58015
27 4X7G 3Y8 0.02488 0.42119 4.78088
28 3A5Z KAA 0.03534 0.40769 4.87805
29 4A91 GLU 0.001129 0.4473 5.03356
30 2V5X V5X 0.04756 0.40201 5.06667
31 1EQ2 NAP 0.02116 0.41984 5.16129
32 2CM4 RCL 0.005227 0.44183 5.33333
33 4RT1 C2E 0.01555 0.41063 5.35714
34 4YBN FAD 0.03962 0.40553 5.35714
35 4PW9 MSS 0.02583 0.40498 5.66038
36 3UC5 ATP 0.01542 0.41031 5.73248
37 5V49 MET 0.0109 0.40627 5.86667
38 3F8D FAD 0.04325 0.43088 5.88235
39 1J09 GLU 0.02171 0.40781 6.13333
40 4TW7 37K 0.002702 0.46154 6.25
41 1RSG FAD 0.03792 0.41797 6.4
42 1KQF MGD 0.04332 0.40795 6.45161
43 3HQP FDP 0.01191 0.41006 6.66667
44 3NZK C90 0.0094 0.42428 6.75241
45 5MZY 8EZ 0.02087 0.41667 6.85484
46 5DJT FMN 0.01423 0.41555 6.89655
47 4OYA 1VE 0.04777 0.42442 6.93333
48 1RBL CAP 0.02438 0.40714 7.33945
49 2O3Z AI7 0.03235 0.43822 7.38007
50 1S4M LUM 0.04066 0.40121 7.50853
51 4XT2 43L 0.03248 0.40289 7.69231
52 3TAY MN0 0.01787 0.4174 7.97546
53 5D48 L96 0.004817 0.44957 8.55263
54 5BV6 35G 0.01306 0.41691 9.21053
55 4BNU 9KQ 0.01652 0.41638 10.0372
56 5HZ9 5M8 0.02575 0.41306 10.3704
57 4NG2 OHN 0.001782 0.47139 10.6195
58 1DMR PGD 0.02806 0.44022 10.6667
59 5U3B 7TD 0.01108 0.43368 10.7023
60 5SVV FMN 0.0266 0.40049 11.6788
61 5WRJ A3P 0.03473 0.40053 12.2112
62 2IV2 2MD 0.02613 0.41636 14.4
63 2IV2 MGD 0.04927 0.40537 14.4
64 2Y8L AMP 0.04149 0.42069 14.4509
65 2Y8L ADP 0.04602 0.42013 14.4509
66 4J75 TYM 0.006803 0.44364 18.4
67 2G36 TRP 0.00002359 0.53212 22.0588
68 1R6U TYM 0.02848 0.40572 25.0667
69 3QXV MTX 0.01985 0.40247 25.3968
Pocket No.: 2; Query (leader) PDB : 2CYC; 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: 2cyc.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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