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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 P 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;
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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 P 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 (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: 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 : 2J5B; Ligand: TYE; Similar sites found with APoc: 213
This union binding pocket(no: 1) in the query (biounit: 2j5b.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3GZ8 APR None
2 3UW5 MAA CHG PRO 0DQ None
3 5KBE IPH 1.31004
4 2UUU PL3 1.43678
5 4UWJ MYA 1.43678
6 4UWJ 7L5 1.43678
7 4SGA ACE PRO ALA PRO PHE 1.65746
8 4FAJ LEU VAL THR LEU VAL PHE VAL 1.72414
9 3C8Z 5CA 1.72414
10 5Y9D FAD 1.72414
11 5U3F 7TS 1.72414
12 6D6L FY4 1.76471
13 1TQP ATP 1.77305
14 1NYT NAP 1.84502
15 3T4L ZEA 1.85185
16 2QHV OC9 1.90476
17 1KHZ ADV 1.91388
18 5DEP UD1 1.93798
19 6GVZ CHO 1.96721
20 4I54 1C1 2.01149
21 5O0J GLC 2.01149
22 5LRT ADP 2.01149
23 5H9Y BGC BGC BGC BGC BGC 2.01149
24 4RF7 ARG 2.01149
25 3VEH 0GA 2.01149
26 1R6W 164 2.17391
27 6GW1 CHO 2.2293
28 2VZZ SCA 2.29358
29 3VDB 149 2.29885
30 6FA4 D1W 2.31214
31 2CHN NGT 2.58621
32 4LGY ADP 2.58621
33 4OXI GAP 2.58621
34 1F8G NAD 2.58621
35 3ZIU LSS 2.58621
36 2J62 GSZ 2.58621
37 3CTL S6P 2.5974
38 5HES 032 2.60586
39 3LF0 ATP 2.63158
40 2H29 DND 2.6455
41 5J75 6GQ 2.65152
42 3R96 AMP 2.65957
43 3R96 ACO 2.65957
44 5LHT TIH 2.72109
45 1K4M NAD 2.8169
46 4ZTE 4RL 2.8436
47 5XIO HFG 2.87356
48 3BW2 FMN 2.87356
49 5G3U FDA 2.87356
50 5ZBC FAD 2.87356
51 4IZC 1GZ 2.90909
52 3MVH WFE 2.92398
53 1TID ATP 2.94118
54 5MZY 8EZ 3.01887
55 3KYG 5GP 5GP 3.0837
56 3ZDS OMD 3.16092
57 3CL7 HYN 3.24675
58 2CM4 RCL 3.33333
59 3ACL 3F1 3.37838
60 5VAD PRO 3.44828
61 5F3I 5UJ 3.44828
62 5JXZ ISC 3.44828
63 5JXZ ISJ 3.44828
64 5JY4 ISC 3.44828
65 1H0H MGD 3.44828
66 6GW4 CHO 3.58306
67 5IVE 6E8 3.63636
68 3LVW GSH 3.73563
69 4YDQ HFG 3.73563
70 4YDQ ANP 3.73563
71 4IGQ THR M3L GLN 3.73563
72 3NYQ AMP 3.73563
73 3NYQ MCA 3.73563
74 1GTE FMN 3.73563
75 1GTE IUR 3.73563
76 5LLT DND 3.75587
77 5TH5 7C5 3.80228
78 5G1X ADP 3.85965
79 2Z6C FMN 3.87597
80 1F5F DHT 3.90244
81 6E1Q CFA 4.02299
82 3UDZ ADP 4.02299
83 3A5Y KAA 4.05797
84 2J9D ADP 4.20168
85 2QTR NXX 4.2328
86 5ALC TIQ 4.2735
87 1XL8 OCB 4.31034
88 5KJW 53C 4.31034
89 1S4M LUM 4.43686
90 4CQM NAP 4.5082
91 5NUE NAD 4.51807
92 5NUF NAD 4.51807
93 1KDK DHT 4.51977
94 1X92 M7P 4.52261
95 5A3T MMK 4.5977
96 5OD2 GLC 4.5977
97 1YQS BSA 4.5977
98 5M90 JIF 4.5977
99 5AA4 6X4 4.5977
100 5T8U LPA 4.5977
101 4GJ3 0XP 4.63576
102 4PTN GXV 4.66472
103 4CS4 ANP 4.74453
104 4CS4 AXZ 4.74453
105 5OCG 9R5 4.7619
106 1U1I NAD 4.84694
107 2I7N ACO 4.88506
108 5XIJ ANP 5.17241
109 5XIJ 873 5.17241
110 2V0C LEU LMS 5.17241
111 2DTX BMA 5.30303
112 2NNQ T4B 5.34351
113 2XTS MTE 5.36585
114 5U98 1KX 5.41516
115 2RGO FAD 5.45977
116 1RBL CAP 5.50459
117 3L5R 47X 5.7377
118 1GEE NAD 5.74713
119 1IR2 CAP 5.74713
120 2V6A CAP 5.74713
121 3NC9 TR3 5.7508
122 3IX9 NDP 5.78947
123 1WN3 HXC 5.88235
124 2YNE YNE 6.03448
125 2YNE NHW 6.03448
126 5M7S NHT 6.03448
127 5GP0 GPP 6.04027
128 3NZK C90 6.10932
129 5X3D 7XL 6.25
130 5X1M DHB 6.32184
131 5X1M THG 6.32184
132 3FD5 AP2 6.32184
133 3P3G UKW 6.33333
134 3P3G 3P3 6.33333
135 1PHK ATP 6.37584
136 4Z87 GDP 6.6092
137 3HUJ AGH 6.69014
138 3TAY MN0 6.74847
139 4GCZ FMN 6.75325
140 5JJU AMP 6.76471
141 1FIQ SAL 6.84932
142 1FIQ MTE 6.84932
143 4PYW ACE THR THR ALA ILE NH2 6.89655
144 3GWN FAD 7.01754
145 3E2M E2M 7.02703
146 5NIU 8YZ 7.03125
147 1GEG NAD 7.03125
148 5WA0 MSS 7.18391
149 5N2F 8HW 7.25806
150 4Q0P 0MK 7.30769
151 6MPT C30 7.34266
152 5U3B 7TD 7.35786
153 6DQU GLY ILE ILE ASN THR LEU 7.35849
154 3H0L ADP 7.44681
155 2HW1 FRU 7.71812
156 2ICK DMA 7.72532
157 5ABH YWN 7.75862
158 5ABF XRJ 7.75862
159 5NCF 8T5 7.9646
160 4RT1 C2E 8.03571
161 2WSA MYA 8.04598
162 2WSA 646 8.04598
163 3IES M24 8.04598
164 1YKD CMP 8.04598
165 3C9U TPP 8.18713
166 3C9U ADP 8.18713
167 4IJP 1EH 8.33333
168 4TW7 37K 8.59375
169 3KV8 FAH 8.63309
170 4EES FMN 8.69565
171 3IVV ASP GLU VAL THR SER THR THR SER SER SER 8.96552
172 3P7I P7I 9.03427
173 1WUR 8DG 9.48276
174 5LDQ NAP 9.60452
175 5LJW ANP 10.0865
176 1C4Q GLA GAL BGC 10.1449
177 4FE2 AIR 10.1961
178 6EHH 2GE 10.2273
179 6GBV FMN 10.274
180 2RCU BUJ 10.6322
181 2Y8L AMP 10.9091
182 2Y8L ADP 10.9091
183 2V92 ATP 10.9091
184 2V92 AMP 10.9091
185 1VA6 ADP 10.9195
186 1WDD CAP 10.9375
187 1TT8 PHB 10.9756
188 5LU5 M7P 11.1675
189 3SAO NKN 11.875
190 5B4T NAD 11.9231
191 5B4T 3HR 11.9231
192 2J3M ATP 12.069
193 2J3M PRI 12.069
194 3L9R L9Q 12.2449
195 3L9R L9R 12.2449
196 4F7E 0SH 12.2449
197 4X7G 3Y8 12.3506
198 3KYF 5GP 5GP 12.987
199 4OHB 5HM 13.1579
200 2GJ5 VD3 13.5802
201 3KPB SAM 13.9344
202 5MRH Q9Z 14.0805
203 4JEM C5P 14.7059
204 4J75 TYM 14.9425
205 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 15.7895
206 3AY6 NAI 16.3569
207 1A2C 34H LEU PRJ OAR 16.6667
208 2G36 TRP 20.2941
209 1R6T TYM 20.977
210 1R6U TYM 20.977
211 4NG2 OHN 23.8938
212 5DK4 ATP 38.9058
213 5DK4 5BX 38.9058
Pocket No.: 2; Query (leader) PDB : 2J5B; Ligand: TYE; Similar sites found with APoc: 90
This union binding pocket(no: 2) in the query (biounit: 2j5b.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3RWP ABQ 0.96463
2 2X7J TPP 1.43678
3 5TA6 79D 1.43678
4 4YVN EBS 1.43678
5 1RM4 NDP 1.48368
6 2X6T NAP 1.72414
7 1EQ2 NAP 1.93548
8 4UCI SAM 2.01149
9 3L4S NAD 2.08333
10 1RKD RIB 2.26537
11 1RKD ADP 2.26537
12 2JLD AG1 2.29885
13 5O5Y GLC 2.29885
14 1OVD FMN 2.57235
15 1OVD ORO 2.57235
16 2YYE APC 2.6087
17 3PE2 E1B 2.67062
18 5XFV FMN 2.69461
19 3OV6 MK0 2.87356
20 5WAN FMN 2.87356
21 2D2I NAP 2.87356
22 4L9Z COA 2.94985
23 4L9Z OXL 2.94985
24 4DQ2 BTX 3.04878
25 4MNS 2AX 3.14465
26 3IAL PR8 3.16092
27 1NFS DED 3.27869
28 5VAD 91Y 3.44828
29 5UN9 NHT 3.44828
30 5L4S 6KX 3.45912
31 5L4S NAP 3.45912
32 1X1T NAD 3.46154
33 2OJW ADP 3.73563
34 2MAS PIR 3.82166
35 6CI9 NAP 3.861
36 4HIA FMN 3.97727
37 1REQ DCA 4.02299
38 1KOR ARG 4.02299
39 1KOR SIN 4.02299
40 3P7N FMN 4.26357
41 5LUN ARG 4.31034
42 5LUN OGA 4.31034
43 5IXH OTP 4.34783
44 1QM5 GLC GLC GLC PO4 SGC GLC 4.5977
45 3C3N FMN 4.80769
46 4YAG NAI 4.84429
47 5X8G S0N 4.88506
48 4QAC KK3 5.06912
49 1WPY BTN 5.10638
50 3VZS NAP 5.44747
51 1B7Y FYA 5.45977
52 4B2D SER 5.74713
53 2G50 ALA 5.74713
54 3IS2 FAD 5.84416
55 4TXJ THM 6.08108
56 2IU8 PLM 6.32184
57 3NEM AMO 6.6092
58 4BH1 SIA GAL NAG 6.62651
59 2W9S NDP 6.8323
60 4WO4 JLS 6.93431
61 1DMR PGD 7.18391
62 2CJ9 SSA 7.18391
63 3ZF8 GDP 7.21311
64 2Z3N PHE ARG TYR LEU GLY 7.29614
65 1DR1 HBI 7.40741
66 1DR1 NAP 7.40741
67 6BE3 NAG 7.48899
68 4R38 RBF 7.85714
69 5G5G MCN 8.29694
70 3OYZ ACO 8.33333
71 5OJI ISN 8.46154
72 2Z77 NCA 8.63309
73 1UA4 BGC 9.1954
74 1UA4 GLC 9.1954
75 3DFR NDP 10.4938
76 3KLL MAL 10.9195
77 3QV1 NAD 10.9756
78 1XCL SAH 11.4894
79 5SVV FMN 13.8686
80 5ITZ GDP 15.5039
81 5O3Q CMP 15.8333
82 3AY6 BGC 16.3569
83 4XDA RIB 17.7994
84 4XDA ADP 17.7994
85 2VUT NAD 18.6047
86 1J3I NDP 18.9024
87 1J3I WRA 18.9024
88 5ETR 5RW 19.8758
89 5ETR APC 19.8758
90 4Z9D NAD 29.7143
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