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Receptor
PDB id Resolution Class Description Source Keywords
1H3F 2 Å EC: 6.1.1.1 TYROSYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED TYROSINOL THERMUS THERMOPHILUS LIGASE AMINOACYL-TRNA SYNTHETASE ATP + L-TYROSINE + TRNA(T+ PPI + L-TYROSYL-TRNA(TY CLASS I AMINOACYL-TRNA SYNTHETASE
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 TYROSINOL THERMUS THERMOPHILUS LIGASE AMINOACYL-TRNA SYNTHETASE ATP + L-TYROSINE + TRNA(T+ PPI + L-TYROSYL-TRNA(TY CLASS I AMINOACYL-TRNA SYNTHETASE
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 DTY 0.475 0.8
5 TYR 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 with APoc: 58
This union binding pocket(no: 1) in the query (biounit: 1h3f.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3NIM ARG ARG ALA ALA None
2 3F4F UMP None
3 4YKG FAD 1.38889
4 2QA1 FAD 1.62037
5 4M52 FAD 1.62037
6 5YF1 8V0 1.65746
7 5YF1 SFG 1.65746
8 4EI7 GDP 1.79949
9 4JDR FAD 1.85185
10 1FL2 FAD 1.93548
11 1Q5H DUD 2.04082
12 4D57 ARG AMP 2.08333
13 1KY8 NAP 2.08333
14 5J75 6GQ 2.27273
15 3ITJ FAD 2.36686
16 1WXI AMP 2.54545
17 1OPK MYR 2.77778
18 2R0D 4IP 2.88184
19 2R09 4IP 2.88184
20 3Q9T FAY 3.00926
21 5O5Y GLC 3.00926
22 5KMS FAD 3.20988
23 4BNU 9KQ 3.34572
24 2BLN U5P 3.47222
25 1FUI FOC 3.47222
26 5HVA DUP 3.57143
27 5HX1 UMP 3.62319
28 4USI ATP 3.8961
29 2YVK MRU 4.01069
30 6D6L FY4 4.11765
31 2XXP DSL 4.27136
32 4FHD EEM 4.34783
33 4FHD 0TT 4.34783
34 1LSH PLD 4.39815
35 4J75 TYM 4.40098
36 6MPT C30 4.54545
37 4M69 ANP 4.59364
38 5KZD RCJ 4.77816
39 2E7Z MGD 4.86111
40 2BEK ATP 5.05837
41 1I7L ATP 5.17799
42 2QTR NXX 5.29101
43 3M89 GSP 5.8548
44 4NG2 OHN 6.19469
45 2BW7 ECS 7.30594
46 2BW7 APC 7.30594
47 4K49 HFQ 7.35294
48 1NB9 ADP 7.48299
49 1NB9 RBF 7.48299
50 3OA2 NAD 8.49057
51 2YVJ FAD 9.17431
52 4MKF AP5 9.21659
53 4NBW NAD 13.6187
54 1U7Z PMT 15.4867
55 2AMT GPP 15.7233
56 5DK4 5BX 16.1094
57 5DK4 ATP 16.1094
58 2G36 TRP 28.8235
Pocket No.: 2; Query (leader) PDB : 1H3F; Ligand: TYE; Similar sites found with APoc: 120
This union binding pocket(no: 2) in the query (biounit: 1h3f.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1C4Q GLA GAL BGC None
2 3LVW GSH 1.15741
3 2OJW ADP 1.30208
4 1DQS NAD 1.78117
5 3NKS ACJ 1.85185
6 5XWV NDP 1.85185
7 1MV8 GDX 1.85185
8 2IU8 PLM 1.87166
9 2IVD ACJ 2.08333
10 1ZB6 GST 2.28013
11 2YNE NHW 2.31481
12 2YNE YNE 2.31481
13 3IES M24 2.31481
14 5N9X ATP 2.31481
15 1R6U TYM 2.31481
16 1R6T TYM 2.31481
17 3HAZ FAD 2.3976
18 3TAY MN0 2.45399
19 3NYQ MCA 2.5463
20 6GW4 CHO 2.60586
21 3C9U ADP 2.63158
22 4YAG NAI 2.76817
23 3CV6 HXS 2.78638
24 3CV6 NAP 2.78638
25 1NV8 SAM 2.8169
26 5T2U NAP 2.82258
27 5VE5 GSH 2.91777
28 1PVN MZP 2.92553
29 6GNO XDI 2.96296
30 1VKO NAD 3.00926
31 2XGT NSS 3.00926
32 3O84 HTJ 3.00926
33 4KWI NAP 3.04183
34 1X1T NAD 3.07692
35 5AE2 FYC 3.24074
36 2IV2 2MD 3.24074
37 4ZUL UN1 3.24074
38 1T7Q COA 3.24074
39 1T7Q 152 3.24074
40 5XDT MB3 3.24675
41 2DXU BT5 3.40426
42 3WDM ADN 3.44828
43 5B4T 3HR 3.46154
44 5B4T NAD 3.46154
45 2RCU BUJ 3.47222
46 3CQD ATP 3.55987
47 6DQU GLY ILE ILE ASN THR LEU 3.7037
48 1RM0 NAI 3.7037
49 3NEM AMO 3.7037
50 5OJI ISN 3.84615
51 1NE6 SP1 3.88693
52 3VZS NAP 3.89105
53 3VZS CAA 3.89105
54 5TPR NAD 3.93519
55 1GZ4 ATP 3.99274
56 1PNO NAP 4.16667
57 4NV7 COA 4.16667
58 3ZF8 GDP 4.2623
59 3WYJ H78 4.34783
60 4A91 GLU 4.39815
61 4JTA NAP 4.5045
62 3EAU NDP 4.58716
63 3EAU PDN 4.58716
64 4M5S GLY GLU ARG THR ILE PRO ILE THR ARG GLU 4.5977
65 6CI9 NAP 4.6332
66 1F52 ADP 4.86111
67 1OMO NAD 5.09259
68 2H04 4UN 5.11182
69 1F5F DHT 5.36585
70 4U7W NDP 5.55556
71 3ZXR P3S 5.55556
72 3ZXR IQ1 5.55556
73 5NUF NAD 5.72289
74 2OOR TXP 5.74713
75 5AXH GLC GLC GLC GLC GLC BGC 5.78704
76 4PFO ADP 6.01852
77 2GJ5 VD3 6.17284
78 3H0L ADP 6.38298
79 3ACL 3F1 6.41892
80 3QXG TLA 6.58436
81 4A3U FMN 6.70391
82 2PA4 UPG 6.81115
83 4X8O AP5 7.00935
84 5WL1 CUY 7.07071
85 5WL1 D3D 7.07071
86 2A9K NAD 7.17489
87 2PZ8 APC 7.39437
88 5AHW CMP 7.48299
89 2ED4 FAD 8.05369
90 4CQM NAP 8.10185
91 1EXB NDP 8.73786
92 5O0B 9FE 9.25926
93 4MDH NAD 9.25926
94 2GZ3 NAP 9.28962
95 5FFF NAP 9.33852
96 4M7V NAP 9.71429
97 5X9D 80F 9.86842
98 5TBS ADE 10.8014
99 2BO4 FLC 10.8312
100 2DTX BMA 11.3636
101 4LAE 1VM 11.3772
102 4LAE NAP 11.3772
103 1J09 GLU 11.5741
104 2QIE 8CS 11.6883
105 1G0N PHH 12.0141
106 1G0N NDP 12.0141
107 3T4L ZEA 12.5926
108 3APT FAD 13.5484
109 4CS4 AXZ 14.5985
110 4CS4 ANP 14.5985
111 1L6O SER LEU LYS LEU MET THR THR VAL 16.8421
112 3L9R L9R 17.3469
113 1B7Y FYA 18.0556
114 4NJS G08 18.1818
115 3UEC ALA ARG TPO LYS 18.4932
116 2QO4 CHD 19.0476
117 1KGI T4A 19.685
118 5XLY C2E 22.5564
119 2CM4 RCL 26
120 5T2Z 017 32.3232
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