Receptor
PDB id Resolution Class Description Source Keywords
5UDK 1.65 Å NON-ENZYME: OTHER IFIT1 MONOMERIC MUTANT (L457E/L464E) WITH PPP-AAAA HOMO SAPIENS MRNA CAP TRIPHOSPHATE RNA TETRATRICOPEPTIDE REPEAT RNA BIPROTEIN
Ref.: STRUCTURE OF HUMAN IFIT1 WITH CAPPED RNA REVEALS AD MRNA BINDING AND MECHANISMS FOR SENSING N1 AND N2 R 2'-O METHYLATIONS. PROC. NATL. ACAD. SCI. V. 114 E2106 2017 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:505;
A:506;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
PGE A:504;
A:501;
Invalid;
Invalid;
none;
none;
submit data
150.173 C6 H14 O4 C(COC...
EDO A:503;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
PEG A:502;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
ATP A A A B:1;
Valid;
none;
ic50 ~ 500 nM
1487.75 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5UDK 1.65 Å NON-ENZYME: OTHER IFIT1 MONOMERIC MUTANT (L457E/L464E) WITH PPP-AAAA HOMO SAPIENS MRNA CAP TRIPHOSPHATE RNA TETRATRICOPEPTIDE REPEAT RNA BIPROTEIN
Ref.: STRUCTURE OF HUMAN IFIT1 WITH CAPPED RNA REVEALS AD MRNA BINDING AND MECHANISMS FOR SENSING N1 AND N2 R 2'-O METHYLATIONS. PROC. NATL. ACAD. SCI. V. 114 E2106 2017 U.S.A.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5UDK ic50 ~ 500 nM ATP A A A n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5UDK ic50 ~ 500 nM ATP A A A n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4HOR - CTP C C C C n/a n/a
2 4HOT - ATP A A A n/a n/a
3 4HOS - UTP U U U n/a n/a
4 5UDK ic50 ~ 500 nM ATP A A A n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ATP A A A ; Similar ligands found: 316
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP A 1 1
2 ATP A A A 1 1
3 ADP PO3 0.813953 0.985507
4 ATP MG 0.813953 0.985507
5 ADP BEF 0.727273 0.985507
6 ADP MG 0.727273 0.985507
7 BEF ADP 0.688172 0.957747
8 PO4 PO4 A A A A PO4 0.686869 0.971014
9 ALF ADP 0.666667 0.906667
10 VO4 ADP 0.666667 0.931507
11 ADP BMA 0.653465 0.958333
12 ANP MG 0.649485 0.944444
13 AMP MG 0.622222 0.971014
14 AR6 AR6 0.614679 0.985714
15 GAP 0.612245 0.931507
16 A 0.593407 0.929577
17 AMP 0.593407 0.929577
18 APC MG 0.591837 0.957747
19 45A 0.591398 0.90411
20 ABM 0.591398 0.90411
21 A2D 0.591398 0.957747
22 ADP 0.589474 0.930556
23 AN2 0.583333 0.917808
24 BA3 0.578947 0.957747
25 A12 0.578947 0.893333
26 A3P 0.578947 0.929577
27 AP2 0.578947 0.893333
28 AGS 0.575758 0.881579
29 PAP 0.575758 0.916667
30 AP5 0.572917 0.957747
31 B4P 0.572917 0.957747
32 SRA 0.569892 0.88
33 DAL AMP 0.567308 0.944444
34 AT4 0.56701 0.893333
35 APC 0.565657 0.893333
36 AHZ 0.561404 0.85
37 M33 0.561224 0.917808
38 ACP 0.555556 0.905405
39 NAD IBO 0.555556 0.985714
40 ATP 0.555556 0.930556
41 HEJ 0.555556 0.930556
42 50T 0.555556 0.891892
43 NAD TDB 0.555556 0.985714
44 4TA 0.553719 0.8625
45 APC G U 0.552 0.87013
46 5FA 0.55 0.930556
47 APR 0.55 0.930556
48 AR6 0.55 0.930556
49 AQP 0.55 0.930556
50 ACQ 0.54902 0.905405
51 ALF ADP 3PG 0.547009 0.871795
52 AF3 ADP 3PG 0.547009 0.871795
53 ADX 0.545455 0.8375
54 CA0 0.545455 0.905405
55 AU1 0.545455 0.905405
56 ADV 0.544554 0.893333
57 AD9 0.544554 0.905405
58 RBY 0.544554 0.893333
59 KG4 0.54 0.905405
60 A22 0.537736 0.944444
61 PRX 0.534653 0.88
62 ANP 0.533981 0.905405
63 TAT 0.533981 0.893333
64 T99 0.533981 0.893333
65 6YZ 0.533333 0.905405
66 MYR AMP 0.531532 0.85
67 PPS 0.528846 0.814815
68 AMP NAD 0.528455 0.971831
69 HQG 0.528302 0.917808
70 ADQ 0.527778 0.931507
71 AMP DBH 0.526316 0.931507
72 ATF 0.52381 0.893333
73 8LQ 0.523364 0.893333
74 3OD 0.522523 0.905405
75 25A 0.518519 0.957747
76 9X8 0.518182 0.881579
77 3AM 0.515789 0.888889
78 Z5A 0.515385 0.831325
79 8LE 0.514286 0.881579
80 5AL 0.514286 0.917808
81 V2G 0.514286 0.858974
82 COA FLC 0.511628 0.8
83 LMS 0.510417 0.814815
84 MAP 0.509259 0.881579
85 QA7 0.509259 0.881579
86 FYA 0.508929 0.917808
87 SON 0.504951 0.893333
88 SRP 0.504673 0.893333
89 8LH 0.504673 0.893333
90 OOB 0.504587 0.944444
91 9ZD 0.504587 0.87013
92 9ZA 0.504587 0.87013
93 OAD 0.504505 0.905405
94 25L 0.504425 0.944444
95 ARG AMP 0.504274 0.839506
96 LPA AMP 0.504202 0.85
97 NAD 0.504 0.971831
98 NAJ PZO 0.503937 0.907895
99 PAX 0.503817 0.839506
100 PAJ 0.5 0.848101
101 A3R 0.5 0.87013
102 4AD 0.5 0.906667
103 A1R 0.5 0.87013
104 AOC 0.5 0.833333
105 AMO 0.5 0.893333
106 NAJ PYZ 0.5 0.8625
107 M7G A2M G 0.496689 0.793103
108 A3D 0.496063 0.958333
109 B5Y 0.495652 0.906667
110 DLL 0.495495 0.944444
111 00A 0.495495 0.894737
112 JNT 0.495495 0.905405
113 XYA 0.494382 0.830986
114 RAB 0.494382 0.830986
115 ADN 0.494382 0.830986
116 NAE 0.492308 0.932432
117 7MD 0.491525 0.82716
118 AFH 0.491525 0.871795
119 3UK 0.491071 0.931507
120 8QN 0.490909 0.917808
121 5SV 0.490909 0.835443
122 OZV 0.490909 0.930556
123 9SN 0.486957 0.883117
124 B5V 0.486726 0.918919
125 WAQ 0.486726 0.87013
126 38V 0.484848 0.85
127 5N5 0.483516 0.805556
128 KMQ 0.482759 0.893333
129 1ZZ 0.482456 0.82716
130 NB8 0.482456 0.858974
131 BIS 0.482456 0.87013
132 AHX 0.482143 0.858974
133 5AS 0.480392 0.767442
134 NMN AMP PO4 0.480315 0.932432
135 NAQ 0.477273 0.907895
136 NAI 0.47541 0.894737
137 DQV 0.475 0.944444
138 4UV 0.474576 0.906667
139 PR8 0.473684 0.8375
140 ZID 0.473684 0.958333
141 LAD 0.473684 0.848101
142 BUA COA 0.471429 0.781609
143 B5M 0.470085 0.906667
144 FA5 0.470085 0.918919
145 ME8 0.469565 0.82716
146 PTJ 0.469565 0.858974
147 JB6 0.469565 0.894737
148 TXA 0.469565 0.893333
149 N01 0.469231 0.971831
150 0WD 0.46875 0.883117
151 GTP MG 0.468468 0.893333
152 4UU 0.466667 0.906667
153 H1Q 0.466667 0.916667
154 7D5 0.463918 0.84
155 4UW 0.463415 0.871795
156 NAX 0.463415 0.860759
157 DND 0.463415 0.945205
158 5CD 0.462366 0.816901
159 A4D 0.462366 0.805556
160 2A5 0.462264 0.855263
161 7D3 0.460784 0.842105
162 LAQ 0.459016 0.82716
163 NAD CJ3 0.458904 0.821429
164 G3A 0.458333 0.883117
165 ATR 0.457944 0.902778
166 A2P 0.456311 0.915493
167 AP0 0.456 0.883117
168 7MC 0.456 0.807229
169 YLP 0.455285 0.807229
170 NAD BBN 0.455172 0.851852
171 6NA COA 0.455172 0.764045
172 GA7 0.454545 0.893333
173 A5A 0.454545 0.795181
174 G5P 0.454545 0.883117
175 XAH 0.453782 0.82716
176 G5A 0.453704 0.767442
177 NDE 0.453237 0.945205
178 G G 6MZ C 0.453125 0.884615
179 LEU LMS 0.452174 0.758621
180 HMG 0.452055 0.781609
181 GTA 0.45082 0.873418
182 TAD 0.45082 0.848101
183 G 6MZ C 0.448598 0.915493
184 TXE 0.448 0.894737
185 OMR 0.448 0.817073
186 TYM 0.448 0.918919
187 EP4 0.447917 0.763158
188 DSZ 0.447368 0.767442
189 GTP 5GP 0.447154 0.932432
190 NDC 0.446809 0.907895
191 DKA COA 0.445946 0.764045
192 DAO COA 0.445946 0.764045
193 PLM COA 0.445946 0.764045
194 EO3 COA 0.445946 0.764045
195 MYR COA 0.445946 0.764045
196 DCR COA 0.445946 0.764045
197 X90 COA 0.445946 0.764045
198 139 0.445312 0.860759
199 UPA 0.444444 0.894737
200 3DH 0.444444 0.783784
201 9K8 0.444444 0.741573
202 4TC 0.444444 0.883117
203 FAD NBT 0.443709 0.758242
204 48N 0.443548 0.858974
205 7D4 0.443396 0.842105
206 M2T 0.443299 0.766234
207 DTA 0.443299 0.821918
208 TSB 0.442478 0.785714
209 LQJ 0.441667 0.930556
210 TXD 0.44 0.894737
211 UP5 0.44 0.906667
212 6V0 0.44 0.883117
213 5AD NJS 0.43949 0.758242
214 MTA 0.438776 0.783784
215 SSA 0.4375 0.767442
216 IOT 0.4375 0.797619
217 NSS 0.434783 0.788235
218 T5A 0.434109 0.829268
219 ADJ 0.434109 0.839506
220 54H 0.433628 0.776471
221 A2R 0.433628 0.917808
222 52H 0.433628 0.767442
223 VMS 0.433628 0.776471
224 8PZ 0.433333 0.788235
225 L3W 0.433071 0.893333
226 YLC 0.433071 0.82716
227 YLB 0.433071 0.807229
228 DZD 0.431818 0.871795
229 6RE 0.431373 0.769231
230 CNA 0.430769 0.945205
231 2AM 0.43 0.876712
232 8X1 0.429825 0.741573
233 5CA 0.429825 0.767442
234 53H 0.429825 0.767442
235 A4P 0.429688 0.809524
236 PUA 0.42963 0.848101
237 CNV FAD 0.427632 0.802326
238 F2R 0.427481 0.807229
239 5X8 0.425926 0.773333
240 COD 0.424242 0.77907
241 ENQ 0.423729 0.929577
242 P5A 0.423729 0.733333
243 V3L 0.423423 0.930556
244 NAD NDT 0.423077 0.734043
245 J7C 0.423077 0.75641
246 A3N 0.423077 0.773333
247 FAD CNX 0.423077 0.734043
248 IMO 0.423077 0.888889
249 LSS 0.422414 0.75
250 ETB 0.422222 0.77907
251 DCA 0.422222 0.770115
252 ZAS 0.421569 0.8
253 P6G FDA 0.420382 0.802326
254 NAP 0.42029 0.958333
255 M24 0.419118 0.860759
256 S4M 0.419048 0.694118
257 6MZ 0.419048 0.890411
258 NVA LMS 0.418803 0.761364
259 B1U 0.418033 0.764045
260 YSA 0.418033 0.788235
261 DAL FAD PER 0.417722 0.775281
262 OVE 0.417476 0.842105
263 TAP 0.417266 0.92
264 9BG 0.416667 0.858974
265 NDP DTT 0.416667 0.851852
266 ITT 0.416667 0.876712
267 D4F 0.416058 0.85
268 COA 0.416058 0.770115
269 0T1 0.416058 0.770115
270 NA7 0.415254 0.893333
271 MAO 0.415094 0.746988
272 O02 0.414414 0.858974
273 NA0 0.414286 0.945205
274 DSH 0.413462 0.734177
275 CCQ 0.413333 0.73913
276 SFG 0.412844 0.76
277 FAD T2C 0.4125 0.758242
278 YLA 0.412214 0.807229
279 KAA 0.411765 0.741573
280 GSU 0.411765 0.767442
281 FAM 0.411348 0.752809
282 FAD NBA 0.411043 0.734043
283 ASP ASP ASP ILE NH2 CMC 0.411043 0.772727
284 BT5 0.410448 0.797619
285 KOY 0.409449 0.837838
286 AYB 0.409091 0.797619
287 APU 0.407692 0.881579
288 80F 0.407407 0.829268
289 CAO 0.407143 0.744444
290 30N 0.407143 0.705263
291 COS 0.407143 0.752809
292 AMX 0.407143 0.77907
293 GJV 0.40566 0.759494
294 FYN 0.405594 0.770115
295 G 6MZ C U 0.405405 0.896104
296 SA8 0.405405 0.716049
297 4YB 0.404762 0.770115
298 EAD 0.404255 0.860759
299 CMX 0.404255 0.770115
300 SCO 0.404255 0.770115
301 AV2 0.403509 0.853333
302 WSA 0.403101 0.797619
303 BTX 0.402985 0.807229
304 NHD 0.402985 0.944444
305 P1H 0.402778 0.839506
306 CA6 0.402778 0.683673
307 P33 FDA 0.402516 0.775281
308 NWW 0.402062 0.746479
309 6C6 0.401786 0.844156
310 FCX 0.401408 0.744444
311 ACO 0.401408 0.744444
312 6MZ C U 0.401361 0.884615
313 1VU 0.4 0.744444
314 V47 0.4 0.819444
315 SMM 0.4 0.714286
316 NMX 0.4 0.731183
Similar Ligands (3D)
Ligand no: 1; Ligand: ATP A A A ; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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