Receptor
PDB id Resolution Class Description Source Keywords
6L7X 2.39 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF CET1 FROM TRYPANOSOMA CRUZI IN COMPLEX LIGAND TRYPANOSOMA CRUZI STRAIN CL BRENER MRNA CAPPING RNA TRIPHOSPHATASE HYDROLASE
Ref.: CRYSTAL STRUCTURES OF THE RNA TRIPHOSPHATASE FROMTR CRUZIPROVIDE INSIGHTS INTO HOW IT RECOGNIZES THE 5' THE RNA SUBSTRATE. J.BIOL.CHEM. V. 295 9076 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:302;
A:305;
A:304;
A:303;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
E7R A:301;
 Valid;
 none;
 submit data
222.244 C10 H14 N4 O2 CCCn1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6L7V 2.2 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF CET1 FROM TRYPANOSOMA CRUZI IN COMPLEX TRIPOLYPHOSPHATE, MANGANESE AND IODIDE IONS. TRYPANOSOMA CRUZI STRAIN CL BRENER MRNA CAPPING RNA TRIPHOSPHATASE HYDROLASE
Ref.: CRYSTAL STRUCTURES OF THE RNA TRIPHOSPHATASE FROMTR CRUZIPROVIDE INSIGHTS INTO HOW IT RECOGNIZES THE 5' THE RNA SUBSTRATE. J.BIOL.CHEM. V. 295 9076 2020
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 6L7V - 3PO H5 O10 P3 OP(=O)(O)O....
2 6L7X - E7R C10 H14 N4 O2 CCCn1cnc2c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 6L7V - 3PO H5 O10 P3 OP(=O)(O)O....
2 6L7X - E7R C10 H14 N4 O2 CCCn1cnc2c....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 6L7V - 3PO H5 O10 P3 OP(=O)(O)O....
2 6L7X - E7R C10 H14 N4 O2 CCCn1cnc2c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: E7R; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 E7R 1 1
2 M1D 0.622642 0.828125
3 X0T 0.555556 0.761194
4 CFF 0.541667 0.872727
5 M0V 0.454545 0.768116
Similar Ligands (3D)
Ligand no: 1; Ligand: E7R; Similar ligands found: 324
No: Ligand Similarity coefficient
1 4B0 0.9387
2 GSY 0.9368
3 B0K 0.9356
4 L7T 0.9349
5 KGK 0.9344
6 K68 0.9329
7 ONZ 0.9325
8 EGR 0.9269
9 2KA 0.9252
10 PQ0 0.9240
11 PRF 0.9223
12 64C 0.9213
13 CLZ 0.9206
14 SRO 0.9185
15 5WU 0.9175
16 K3Q 0.9163
17 PHH 0.9159
18 9LI 0.9158
19 64F 0.9153
20 JXW 0.9151
21 BNT 0.9140
22 PFB 0.9128
23 JXZ 0.9127
24 3N4 0.9106
25 KJ5 0.9097
26 OA3 0.9092
27 8W9 0.9089
28 F5C 0.9087
29 64E 0.9085
30 MIG 0.9083
31 BA5 0.9077
32 5NS 0.9073
33 UFO 0.9070
34 57O 0.9068
35 5OF 0.9067
36 PH2 0.9063
37 IBM 0.9059
38 ALR 0.9057
39 LZ2 0.9048
40 HHR 0.9035
41 APS 0.9033
42 K6X 0.9028
43 JYT 0.9027
44 37T 0.9019
45 E35 0.9016
46 BGC 0.9015
47 ARP 0.9013
48 GCB 0.9010
49 C9E 0.9009
50 1KP 0.9008
51 8GK 0.9006
52 AC2 0.8999
53 UQ 0.8998
54 L1Q 0.8997
55 BSP 0.8996
56 NAG 0.8995
57 MT5 0.8992
58 0J5 0.8989
59 NBV 0.8984
60 06B 0.8984
61 0FK 0.8980
62 0XT 0.8974
63 KFH 0.8970
64 2EC 0.8969
65 RZH 0.8965
66 R9Y 0.8965
67 28N 0.8961
68 G1P 0.8960
69 UQ1 0.8955
70 7MX 0.8955
71 NTZ 0.8954
72 6VD 0.8954
73 FXH 0.8952
74 O2A 0.8940
75 8XQ 0.8936
76 BK9 0.8933
77 EVA 0.8931
78 7B3 0.8931
79 RH1 0.8926
80 JYK 0.8925
81 I4D 0.8925
82 BDP 0.8925
83 44V 0.8922
84 TSS 0.8916
85 LIP 0.8913
86 0FN 0.8912
87 NLA 0.8911
88 JTH 0.8910
89 28S 0.8905
90 V1T 0.8905
91 B2E 0.8903
92 KW8 0.8903
93 7ZC 0.8899
94 3RI 0.8899
95 LP8 0.8898
96 JXN 0.8897
97 DPZ 0.8894
98 226 0.8893
99 EV3 0.8892
100 G3F 0.8890
101 3Z8 0.8889
102 GRX 0.8886
103 EYM 0.8883
104 NPA 0.8881
105 9KT 0.8880
106 HQD 0.8880
107 9R5 0.8879
108 NVU 0.8877
109 GOE 0.8874
110 8S0 0.8874
111 0LH 0.8872
112 TEP 0.8871
113 NBG 0.8869
114 IPD 0.8863
115 INE 0.8863
116 LOG 0.8859
117 GJP 0.8858
118 4AN 0.8854
119 IAC 0.8854
120 7ME 0.8853
121 GDL 0.8852
122 7FF 0.8850
123 2SX 0.8849
124 LT2 0.8849
125 NDG 0.8848
126 61M 0.8847
127 CR1 0.8847
128 3IT 0.8846
129 3R6 0.8846
130 4VS 0.8844
131 ZZZ 0.8844
132 HBO 0.8843
133 TSR 0.8841
134 GCU 0.8841
135 MYI 0.8838
136 TOF 0.8833
137 EYA 0.8831
138 W8G 0.8829
139 F95 0.8825
140 3TV 0.8825
141 8XL 0.8825
142 GLC 0.8823
143 HNQ 0.8823
144 M0W 0.8821
145 XM5 0.8818
146 JXK 0.8818
147 LI6 0.8817
148 G1O 0.8817
149 TXW 0.8814
150 XFE 0.8814
151 FSU 0.8814
152 VK3 0.8814
153 S8A 0.8810
154 DX3 0.8810
155 LGC 0.8810
156 18N 0.8806
157 3GQ 0.8805
158 KJY 0.8805
159 N2I 0.8802
160 G6P 0.8802
161 MT8 0.8801
162 KWH 0.8800
163 B62 0.8788
164 I6G 0.8783
165 0J4 0.8782
166 7M6 0.8780
167 JU2 0.8779
168 8Y7 0.8775
169 X8D 0.8773
170 3Y7 0.8772
171 4ME 0.8771
172 FLV 0.8770
173 XDE 0.8769
174 HLZ 0.8769
175 BDI 0.8769
176 DY5 0.8765
177 JR2 0.8765
178 GCS 0.8764
179 M3Q 0.8763
180 54X 0.8762
181 NQ 0.8761
182 RXA 0.8761
183 KLK 0.8761
184 9MG 0.8759
185 5WS 0.8758
186 E1K 0.8755
187 DQU 0.8753
188 ISE 0.8752
189 3MG 0.8751
190 2ZQ 0.8749
191 KBG 0.8748
192 JYW 0.8748
193 ZVO 0.8748
194 1X7 0.8747
195 JUG 0.8745
196 PQK 0.8742
197 MAG 0.8742
198 MQB 0.8737
199 0W8 0.8736
200 4RU 0.8736
201 UAN 0.8734
202 E3D 0.8731
203 M1H 0.8730
204 2LY 0.8728
205 MQG 0.8728
206 GNM 0.8727
207 KWQ 0.8727
208 8RK 0.8723
209 091 0.8723
210 QMS 0.8722
211 8WT 0.8721
212 6X9 0.8721
213 Z25 0.8720
214 4R1 0.8718
215 GAL 0.8714
216 JY2 0.8711
217 GC2 0.8710
218 GT0 0.8710
219 BB4 0.8708
220 9PY 0.8707
221 DBJ 0.8702
222 7CT 0.8699
223 NDM 0.8698
224 FDB 0.8696
225 2FQ 0.8694
226 YKG 0.8693
227 GCV 0.8692
228 BM3 0.8691
229 IOS 0.8687
230 JHY 0.8681
231 PYQ 0.8679
232 23J 0.8678
233 5V7 0.8677
234 96Z 0.8677
235 T6Z 0.8674
236 D07 0.8672
237 9BF 0.8671
238 GCW 0.8669
239 3C1 0.8669
240 MHK 0.8669
241 67Y 0.8667
242 1U6 0.8665
243 39A 0.8665
244 M4E 0.8665
245 CKX 0.8662
246 CCV 0.8662
247 582 0.8660
248 CX4 0.8658
249 BIO 0.8657
250 M5N 0.8655
251 BCU 0.8654
252 MS0 0.8653
253 948 0.8653
254 GF4 0.8652
255 790 0.8651
256 UEG 0.8651
257 Q7A 0.8649
258 EOL 0.8648
259 7VS 0.8647
260 E7Z 0.8641
261 MAQ 0.8641
262 NGT 0.8638
263 DQN 0.8638
264 2O6 0.8637
265 DEE 0.8635
266 S0G 0.8635
267 XHP 0.8632
268 5QX 0.8632
269 6ME 0.8630
270 GNV 0.8627
271 ALL 0.8627
272 YO5 0.8626
273 5WX 0.8625
274 GTV 0.8625
275 IJZ 0.8625
276 Q24 0.8624
277 SHG 0.8624
278 AZ9 0.8622
279 7ZE 0.8621
280 M6Z 0.8619
281 DTE 0.8615
282 P9T 0.8614
283 36M 0.8613
284 J9W 0.8612
285 H05 0.8606
286 MNS 0.8606
287 F52 0.8606
288 SYV 0.8606
289 MUA 0.8605
290 ZON 0.8605
291 44W 0.8603
292 A3Q 0.8601
293 CTE 0.8600
294 GIM 0.8600
295 12Q 0.8600
296 67X 0.8597
297 5PX 0.8596
298 R6T 0.8596
299 UFV 0.8594
300 BNX 0.8593
301 DHK 0.8593
302 H33 0.8588
303 K17 0.8582
304 PXL 0.8582
305 2J9 0.8581
306 9KH 0.8580
307 ASO 0.8577
308 HQT 0.8575
309 BG6 0.8574
310 BRV 0.8569
311 K66 0.8568
312 92P 0.8568
313 GOX 0.8562
314 2J2 0.8562
315 MM5 0.8559
316 9UG 0.8557
317 7SX 0.8552
318 GTR 0.8546
319 X04 0.8546
320 L99 0.8531
321 CSN 0.8528
322 GNY 0.8521
323 SYE 0.8516
324 F3B 0.8504
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6L7V; Ligand: 3PO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6l7v.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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