Receptor
PDB id Resolution Class Description Source Keywords
2J5B 2.2 Å EC: 6.1.1.1 STRUCTURE OF THE TYROSYL TRNA SYNTHETASE FROM ACANTHAMOEBA POLYPHAGA MIMIVIRUS COMPLEXED WITH TYROSYNOL ACANTHAMOEBA POLYPHAGA MIMIVIRUS LIGASE PROTEIN BIOSYNTHESIS ATP-BINDING
Ref.: VIRUS-ENCODED AMINOACYL-TRNA SYNTHETASES: STRUCTURA FUNCTIONAL CHARACTERIZATION OF MIMIVIRUS TYRRS AND J.VIROL. V. 81 12406 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TYE A:1336;
B:1338;
Valid;
Valid;
none;
none;
submit data
167.205 C9 H13 N O2 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2J5B 2.2 Å EC: 6.1.1.1 STRUCTURE OF THE TYROSYL TRNA SYNTHETASE FROM ACANTHAMOEBA POLYPHAGA MIMIVIRUS COMPLEXED WITH TYROSYNOL ACANTHAMOEBA POLYPHAGA MIMIVIRUS LIGASE PROTEIN BIOSYNTHESIS ATP-BINDING
Ref.: VIRUS-ENCODED AMINOACYL-TRNA SYNTHETASES: STRUCTURA FUNCTIONAL CHARACTERIZATION OF MIMIVIRUS TYRRS AND J.VIROL. V. 81 12406 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 2J5B - 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 2J5B - TYE C9 H13 N O2 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: 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 : 2J5B; 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: 2j5b.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2J5B; Ligand: TYE; Similar sites found: 87
This union binding pocket(no: 2) in the query (biounit: 2j5b.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3GZ8 APR 0.009668 0.41696 None
2 2UUU PL3 0.03766 0.43031 1.43678
3 4I54 1C1 0.005532 0.4555 2.01149
4 5LRT ADP 0.02003 0.41359 2.01149
5 5H9Y BGC BGC BGC BGC BGC 0.008428 0.41319 2.01149
6 4UCI SAM 0.02174 0.40806 2.01149
7 5IH9 6BF 0.04831 0.40499 2.08955
8 2J62 GSZ 0.01768 0.40995 2.58621
9 4OXI GAP 0.02324 0.40054 2.58621
10 3LF0 ATP 0.01971 0.41628 2.63158
11 3OV6 MK0 0.0286 0.41187 2.87356
12 5G3U FDA 0.04943 0.4045 2.87356
13 5MZY 8EZ 0.007375 0.44225 3.01887
14 4DQ2 BTX 0.03734 0.40133 3.04878
15 4MNS 2AX 0.01197 0.44314 3.14465
16 1NFS DED 0.01943 0.40502 3.27869
17 5F3I 5UJ 0.04854 0.41607 3.44828
18 5UN9 NHT 0.009674 0.41203 3.44828
19 5JXZ ISC 0.01882 0.40906 3.44828
20 5JY4 ISC 0.02141 0.40296 3.44828
21 5JXZ ISJ 0.02482 0.40185 3.44828
22 5L4S 6KX 0.02418 0.42392 3.45912
23 5L4S NAP 0.02418 0.42392 3.45912
24 5LLT DND 0.004348 0.45498 3.75587
25 4HIA FMN 0.002039 0.47817 3.97727
26 1REQ DCA 0.01526 0.43315 4.02299
27 3UDZ ADP 0.02596 0.40024 4.02299
28 5ALC TIQ 0.01454 0.4283 4.2735
29 5LUN ARG 0.004262 0.44549 4.31034
30 5LUN OGA 0.00546 0.43842 4.31034
31 5KJW 53C 0.004474 0.41574 4.31034
32 5IXH OTP 0.0415 0.41092 4.34783
33 2X4Z X4Z 0.02616 0.42162 4.39189
34 5A3T MMK 0.009025 0.4411 4.5977
35 1YQS BSA 0.02341 0.41972 4.5977
36 5T8U LPA 0.01186 0.41087 4.5977
37 1QM5 GLC GLC GLC PO4 SGC GLC 0.0451 0.40432 4.5977
38 4CS4 ANP 0.01715 0.42522 4.74453
39 4CS4 AXZ 0.0212 0.42522 4.74453
40 4YAG NAI 0.0333 0.4237 4.84429
41 2I7N ACO 0.01658 0.41268 4.88506
42 5U98 1KX 0.01015 0.46167 5.41516
43 3L5R 47X 0.02119 0.45451 5.7377
44 3NC9 TR3 0.01384 0.43783 5.7508
45 3IS2 FAD 0.03179 0.40409 5.84416
46 4TXJ THM 0.04192 0.40173 6.08108
47 3NZK C90 0.02193 0.40422 6.10932
48 5X1M DHB 0.02307 0.42442 6.32184
49 3P3G 3P3 0.03186 0.40557 6.33333
50 3P3G UKW 0.03186 0.40557 6.33333
51 2W9S NDP 0.04781 0.40239 6.8323
52 1DMR PGD 0.008787 0.46494 7.18391
53 2CJ9 SSA 0.02385 0.40232 7.18391
54 3ZF8 GDP 0.007026 0.41587 7.21311
55 4DE9 VTP 0.01961 0.41433 7.34266
56 5U3B 7TD 0.03066 0.40375 7.35786
57 1DR1 HBI 0.04808 0.41175 7.40741
58 1DR1 NAP 0.04808 0.41175 7.40741
59 2ICK DMA 0.01207 0.41168 7.72532
60 5NCF 8T5 0.01291 0.40719 7.9646
61 4RT1 C2E 0.01723 0.41152 8.03571
62 2WSA MYA 0.03698 0.44194 8.04598
63 2WSA 646 0.03698 0.44194 8.04598
64 3IES M24 0.02283 0.42174 8.04598
65 3C9U ADP 0.02935 0.4015 8.18713
66 5G5G MCN 0.01725 0.42365 8.29694
67 4IJP 1EH 0.02373 0.40913 8.33333
68 4TW7 37K 0.0008635 0.49634 8.59375
69 2Z77 NCA 0.009613 0.40863 8.63309
70 1UA4 GLC 0.005683 0.4235 9.1954
71 1UA4 BGC 0.005683 0.4235 9.1954
72 5LJW ANP 0.01978 0.40907 10.0865
73 2J3M PRI 0.004891 0.45559 12.069
74 2J3M ATP 0.004773 0.45385 12.069
75 4X7G 3Y8 0.04451 0.40206 12.3506
76 4JEM C5P 0.01416 0.42388 14.7059
77 4J75 TYM 0.008762 0.42908 14.9425
78 5ITZ GDP 0.01099 0.43281 15.5039
79 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.0003581 0.42776 15.7895
80 4XDA ADP 0.02011 0.4265 17.7994
81 4XDA RIB 0.02011 0.4265 17.7994
82 5ETR APC 0.03053 0.41444 19.8758
83 5ETR 5RW 0.03053 0.41444 19.8758
84 2G36 TRP 0.00009202 0.49368 20.2941
85 1R6U TYM 0.008717 0.42178 20.977
86 4NG2 OHN 0.0005974 0.50154 23.8938
87 4Z9D NAD 0.03288 0.40139 29.7143
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