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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;
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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 (22)
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 5N5U - AMP C10 H14 N5 O7 P c1nc(c2c(n....
10 2HGZ - PBF C16 H15 N O3 c1ccc(cc1)....
11 4PBR - 2L7 C13 H17 Br N2 O3 CC(C)(C(=O....
12 5L7P - BUU C16 H16 N2 O6 c1ccc(c(c1....
13 2PXH - BP5 C13 H13 N3 O2 c1ccnc(c1)....
14 3N2Y - TEF C10 H11 N5 O2 c1cc(ccc1C....
15 1ZH6 - 4AF C11 H13 N O3 CC(=O)c1cc....
16 4PBS - 2L7 C13 H17 Br N2 O3 CC(C)(C(=O....
17 1ZH0 - NAL C13 H13 N O2 c1ccc2cc(c....
18 2CYC - TYR C9 H11 N O3 c1cc(ccc1C....
19 1Q11 - TYE C9 H13 N O2 c1cc(ccc1C....
20 5THH - TYR C9 H11 N O3 c1cc(ccc1C....
21 3VGJ - YAP C19 H23 N6 O9 P c1cc(ccc1C....
22 2J5B - TYE C9 H13 N O2 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TYR; Similar ligands found: 30
No: Ligand ECFP6 Tc MDL keys Tc
1 TYR 1 1
2 DTY 1 1
3 TYC 0.694444 0.78125
4 PFF 0.657895 0.741935
5 4BF 0.615385 0.741935
6 PHI 0.615385 0.741935
7 TFQ 0.595238 0.666667
8 0A1 0.585366 0.9
9 7N8 0.585366 0.666667
10 4AF 0.585366 0.827586
11 4CF 0.571429 0.733333
12 PHE 0.564103 0.814815
13 DPN 0.564103 0.814815
14 34H 0.564103 0.666667
15 PBF 0.531915 0.8
16 PTR 0.521739 0.675
17 AEG 0.513514 0.689655
18 DAH 0.5 0.84375
19 3NF 0.478261 0.764706
20 TYE 0.475 0.8
21 IYR 0.468085 0.818182
22 YOF 0.468085 0.818182
23 4HP 0.447368 0.642857
24 2LT 0.444444 0.794118
25 485 0.442623 0.613636
26 E42 0.433962 0.9
27 33S 0.416667 0.741935
28 HPP 0.414634 0.655172
29 NAL 0.411765 0.766667
30 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 with APoc: 118
This union binding pocket(no: 1) in the query (biounit: 2cyc.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
2 1PVN MZP 1.06667
3 5WA0 MSS 1.36986
4 5VAD 91Y 1.6
5 1H82 GZZ 1.86667
6 1H82 FAD 1.86667
7 4Z87 GDP 1.86667
8 2C6Q NDP 1.9943
9 4C3Y FAD 2.13333
10 1EU1 MGD 2.4
11 1E5D FMN 2.4
12 1F5N GNP 2.66667
13 2BVL GLC 2.66667
14 2BVL UDP 2.66667
15 2BII MTV 2.66667
16 4QYS PLR 2.93333
17 2JLD AG1 2.93333
18 5W4W 9WG 3.02115
19 5LRT ADP 3.2
20 2XGT NSS 3.2
21 1TMO 2MD 3.46667
22 5XIJ ANP 3.46667
23 3RO7 TDR 3.46667
24 5XIJ 873 3.46667
25 1NV8 SAM 3.52113
26 1NV8 MEQ 3.52113
27 2ADA HPR 3.69318
28 3T4L ZEA 3.7037
29 6CI9 NAP 3.861
30 1JNR FAD 4
31 2F2H XTG 4
32 6C6O ENG 4
33 3LVW GSH 4
34 3B1Q NOS 4
35 3ND6 ATP 4.09357
36 6D6L FY4 4.11765
37 1O6B ADP 4.14201
38 4ZSY RW2 4.26667
39 2IU8 PLM 4.27807
40 3GZ8 APR 4.32099
41 3P3G UKW 4.33333
42 3P3G 3P3 4.33333
43 3LF0 ATP 4.38596
44 3ACL 3F1 4.39189
45 3PP0 03Q 4.43787
46 5UKL SIX 4.53333
47 4ONA UW1 4.53333
48 2NNQ T4B 4.58015
49 3P7N FMN 4.65116
50 4CS4 AXZ 4.74453
51 4X7G 3Y8 4.78088
52 1F5F DHT 4.87805
53 3A5Z KAA 4.87805
54 4A91 GLU 5.03356
55 3ZLR X0B 5.06329
56 6CUZ FEV 5.06667
57 2V5X V5X 5.06667
58 1EQ2 NAP 5.16129
59 6DZN AE3 5.16432
60 2CM4 RCL 5.33333
61 4YBN FAD 5.35714
62 4PW9 MSS 5.66038
63 5NUF NAD 5.72289
64 5NUE NAD 5.72289
65 3UC5 ATP 5.73248
66 2HJR APR 5.79268
67 5V49 MET 5.86667
68 5KJW 53C 6.13333
69 1J09 GLU 6.13333
70 4TW7 37K 6.25
71 1RSG FAD 6.4
72 4EN4 GT0 6.41026
73 4EN4 GT1 6.41026
74 4EN4 ATP 6.41026
75 1KQF MGD 6.45161
76 3HQP FDP 6.66667
77 6CC0 EWM 6.75105
78 3NZK C90 6.75241
79 5MZY 8EZ 6.85484
80 5DJT FMN 6.89655
81 5DJU FMN 6.89655
82 4OYA 1VE 6.93333
83 1RBL CAP 7.33945
84 2O3Z AI7 7.38007
85 1S4M LUM 7.50853
86 1JNQ EGT 7.73333
87 3TAY MN0 7.97546
88 5TH5 7C5 8.36502
89 1R27 MGD 8.53333
90 5D48 L96 8.55263
91 1QIN GIP 8.74317
92 6GW4 CHO 8.79479
93 5BV6 35G 9.21053
94 6E2B PT7 9.21053
95 4QAC KK3 9.21659
96 4BNU 9KQ 10.0372
97 5HZ9 5M8 10.3704
98 4NG2 OHN 10.6195
99 1DMR PGD 10.6667
100 5U3B 7TD 10.7023
101 5SVV FMN 11.6788
102 5WRJ A3P 12.2112
103 5XK9 GST 12.931
104 2PR5 FMN 13.6364
105 2IV2 2MD 14.4
106 2IV2 MGD 14.4
107 2Y8L AMP 14.4509
108 2Y8L ADP 14.4509
109 2V92 ATP 15.9236
110 2V92 AMP 15.9236
111 4J75 TYM 18.4
112 6GG9 FMN 19.1358
113 2G36 TRP 22.0588
114 1R6T TYM 25.0667
115 1R6U TYM 25.0667
116 3QXV MTX 25.3968
117 5DK4 ATP 32.5228
118 5DK4 5BX 32.5228
Pocket No.: 2; Query (leader) PDB : 2CYC; Ligand: TYR; Similar sites found with APoc: 29
This union binding pocket(no: 2) in the query (biounit: 2cyc.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3PE2 E1B 2.07715
2 2RKV COA 2.4
3 1QMG APX 2.93333
4 6BYM HC3 3.44828
5 5ABH YWN 3.46667
6 2V0U FMN 4.10959
7 4K2G 1OQ 4.26667
8 4KCT FDP 4.26667
9 5O0B 9FE 4.32099
10 6F9Q NAD 4.41176
11 2X6T NAP 4.48179
12 3D72 FAD 4.69799
13 3CTL S6P 4.7619
14 3TWO NDP 4.88506
15 5KBF CMP 5.31561
16 1PNO NAP 5.55556
17 5L4S NAP 6.28931
18 5L4S 6KX 6.28931
19 1X54 4AD 6.66667
20 3T6E UQ9 8.66873
21 2ZOF BES 9.06667
22 1N07 FMN 9.20245
23 2Y5D NAP 9.86667
24 2Z6D FMN 10
25 2AZC 3TL 10.101
26 5K8S CMP 10.8108
27 2NYA MGD 15.4667
28 4C2V YJA 18.9474
29 5M45 AMP 26.1905
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