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Receptor
PDB id Resolution Class Description Source Keywords
3EWP 2 Å EC: 3.4.22.- COMPLEX OF SUBSTRATE ADP-RIBOSE WITH IBV NSP3 ADRP DOMAIN AVIAN INFECTIOUS BRONCHITIS VIRUS GLOBULAR LIKE CYTOPLASM HYDROLASE MEMBRANE METAL- BINDING PROTEASE RIBOSOMAL FRAMESHIFTING RNA-BINDING THIOL PROTEASE TRANSMEMBRANE ZINC ZINC-FINGER
Ref.: CRYSTAL STRUCTURES OF TWO CORONAVIRUS ADP-RIBOSE-1''-MONOPHOSPHATASES AND THEIR COMPLEXES WITH ADP-RIBOSE: A SYSTEMATIC STRUCTURAL ANALYSIS OF THE VIRAL ADRP DOMAIN. J.VIROL. V. 83 1083 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
APR A:175;
B:175;
Valid;
Valid;
none;
none;
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559.316 C15 H23 N5 O14 P2 c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EWP 2 Å EC: 3.4.22.- COMPLEX OF SUBSTRATE ADP-RIBOSE WITH IBV NSP3 ADRP DOMAIN AVIAN INFECTIOUS BRONCHITIS VIRUS GLOBULAR LIKE CYTOPLASM HYDROLASE MEMBRANE METAL- BINDING PROTEASE RIBOSOMAL FRAMESHIFTING RNA-BINDING THIOL PROTEASE TRANSMEMBRANE ZINC ZINC-FINGER
Ref.: CRYSTAL STRUCTURES OF TWO CORONAVIRUS ADP-RIBOSE-1''-MONOPHOSPHATASES AND THEIR COMPLEXES WITH ADP-RIBOSE: A SYSTEMATIC STRUCTURAL ANALYSIS OF THE VIRAL ADRP DOMAIN. J.VIROL. V. 83 1083 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3EWP - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3EWP - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3EWP - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: APR; Similar ligands found: 398
No: Ligand ECFP6 Tc MDL keys Tc
1 APR 1 1
2 AR6 1 1
3 A2D 0.898551 0.971831
4 BA3 0.847222 0.971831
5 B4P 0.835616 0.971831
6 AP5 0.835616 0.971831
7 M33 0.813333 0.958333
8 ADP 0.810811 0.971831
9 ADV 0.805195 0.958904
10 RBY 0.805195 0.958904
11 HEJ 0.802632 0.971831
12 ATP 0.802632 0.971831
13 AT4 0.8 0.932432
14 AN2 0.8 0.958333
15 5FA 0.792208 0.971831
16 AQP 0.792208 0.971831
17 AD9 0.782051 0.945205
18 AGS 0.782051 0.92
19 SAP 0.782051 0.92
20 ACP 0.779221 0.945205
21 A 0.753425 0.943662
22 AMP 0.753425 0.943662
23 3OD 0.747126 0.972222
24 PRX 0.746835 0.893333
25 9X8 0.744186 0.945946
26 OAD 0.744186 0.972222
27 CA0 0.74359 0.972222
28 ADX 0.74359 0.873418
29 ACQ 0.740741 0.945205
30 ANP 0.740741 0.945205
31 A22 0.738095 0.958333
32 50T 0.734177 0.931507
33 A2R 0.72619 0.985915
34 ABM 0.723684 0.917808
35 ATF 0.722892 0.932432
36 A1R 0.72093 0.907895
37 ADQ 0.72093 0.972222
38 A3R 0.72093 0.907895
39 6YZ 0.714286 0.945205
40 A12 0.705128 0.932432
41 AP2 0.705128 0.932432
42 SRA 0.697368 0.893333
43 5AL 0.690476 0.958333
44 APC 0.682927 0.932432
45 AU1 0.679012 0.945205
46 TAT 0.678571 0.932432
47 T99 0.678571 0.932432
48 SRP 0.674419 0.932432
49 BIS 0.67033 0.907895
50 25L 0.663043 0.958333
51 4AD 0.662921 0.945946
52 DLL 0.655556 0.958333
53 00A 0.655556 0.907895
54 ADP PO3 0.654762 0.943662
55 8QN 0.651685 0.958333
56 5SV 0.651685 0.848101
57 OOB 0.651685 0.958333
58 25A 0.651685 0.944444
59 DQV 0.649485 0.958333
60 PAJ 0.644444 0.909091
61 AMO 0.644444 0.958904
62 MAP 0.640449 0.92
63 OMR 0.64 0.875
64 AFH 0.639175 0.909091
65 AHX 0.637363 0.896104
66 FYA 0.634409 0.905405
67 3UK 0.630435 0.945205
68 NAX 0.63 0.873418
69 G3A 0.628866 0.896104
70 SON 0.626506 0.932432
71 ALF ADP 0.625 0.87013
72 ADP ALF 0.625 0.87013
73 B5V 0.623656 0.932432
74 PR8 0.623656 0.873418
75 WAQ 0.623656 0.907895
76 LAD 0.623656 0.884615
77 G5P 0.622449 0.896104
78 GAP 0.62069 0.918919
79 LMS 0.620253 0.82716
80 48N 0.62 0.921053
81 ADP VO4 0.617977 0.931507
82 VO4 ADP 0.617977 0.931507
83 AP0 0.617647 0.896104
84 ME8 0.617021 0.8625
85 TXA 0.617021 0.958904
86 PTJ 0.617021 0.896104
87 1ZZ 0.617021 0.8625
88 NB8 0.617021 0.921053
89 GTA 0.616162 0.8625
90 FA5 0.614583 0.932432
91 TXD 0.613861 0.907895
92 NAI 0.613861 0.907895
93 6V0 0.613861 0.896104
94 DND 0.613861 0.958904
95 NXX 0.613861 0.958904
96 TXE 0.607843 0.907895
97 DAL AMP 0.604396 0.931507
98 9SN 0.604167 0.896104
99 UP5 0.598039 0.92
100 YAP 0.597938 0.92
101 B5Y 0.597938 0.92
102 B5M 0.597938 0.92
103 9ZD 0.597826 0.907895
104 9ZA 0.597826 0.907895
105 XAH 0.591837 0.839506
106 RAB 0.589041 0.84507
107 ADN 0.589041 0.84507
108 XYA 0.589041 0.84507
109 2A5 0.586207 0.893333
110 4UV 0.585859 0.92
111 AOC 0.585366 0.821918
112 ADJ 0.584906 0.875
113 7D4 0.581395 0.88
114 ITT 0.581395 0.916667
115 A4P 0.580952 0.821429
116 ATR 0.579545 0.943662
117 PAP 0.579545 0.957747
118 CNA 0.579439 0.932432
119 ADP BMA 0.578947 0.945205
120 5AS 0.576471 0.77907
121 4UU 0.574257 0.92
122 GA7 0.574257 0.906667
123 F2R 0.574074 0.864198
124 5N5 0.573333 0.819444
125 7D3 0.571429 0.88
126 4TC 0.571429 0.896104
127 139 0.570093 0.873418
128 T5A 0.570093 0.841463
129 COD 0.568807 0.811765
130 JB6 0.56701 0.883117
131 A4D 0.565789 0.819444
132 5CD 0.565789 0.805556
133 EP4 0.564103 0.753247
134 LAQ 0.563107 0.8625
135 NA7 0.5625 0.932432
136 TYM 0.561905 0.932432
137 80F 0.558559 0.864198
138 YLP 0.557692 0.841463
139 A A 0.556701 0.917808
140 G5A 0.555556 0.77907
141 HFD 0.555556 0.92
142 4UW 0.552381 0.884615
143 ATP A A A 0.55 0.930556
144 AVV 0.547368 0.896104
145 A3P 0.546512 0.943662
146 MYR AMP 0.545455 0.839506
147 7D5 0.54321 0.853333
148 G1R 0.542553 0.907895
149 YLC 0.542056 0.8625
150 UPA 0.542056 0.907895
151 YLB 0.542056 0.841463
152 NAD 0.540541 0.931507
153 TYR AMP 0.539216 0.894737
154 AMP DBH 0.539216 0.918919
155 TAD 0.538462 0.884615
156 DTA 0.5375 0.786667
157 M2T 0.5375 0.734177
158 3DH 0.536585 0.773333
159 AYB 0.536364 0.831325
160 EAD 0.533898 0.873418
161 AHZ 0.533333 0.839506
162 FB0 0.532787 0.784091
163 IOT 0.53211 0.831325
164 A3D 0.530973 0.918919
165 MTA 0.530864 0.773333
166 3AM 0.53012 0.902778
167 ARG AMP 0.528846 0.829268
168 AR6 AR6 0.528846 0.944444
169 A2P 0.528736 0.929577
170 YLA 0.527273 0.841463
171 6AD 0.526882 0.884615
172 PPS 0.526882 0.85
173 BTX 0.526786 0.819277
174 NAE 0.525862 0.894737
175 BT5 0.522124 0.831325
176 A5A 0.521277 0.807229
177 TSB 0.520833 0.819277
178 6RE 0.517647 0.7375
179 P1H 0.516393 0.851852
180 3AT 0.516129 0.944444
181 SSA 0.515789 0.8
182 7MD 0.514286 0.886076
183 54H 0.510417 0.788235
184 52H 0.510417 0.77907
185 VMS 0.510417 0.788235
186 NSS 0.510204 0.8
187 NAQ 0.508475 0.871795
188 ZAS 0.505882 0.766234
189 IMO 0.505747 0.902778
190 J7C 0.505747 0.746835
191 A3N 0.505747 0.786667
192 AV2 0.505263 0.891892
193 R5I 0.505263 0.918919
194 R7I 0.505263 0.918919
195 53H 0.505155 0.77907
196 5CA 0.505155 0.8
197 8X1 0.505155 0.752809
198 ARU 0.50505 0.8375
199 NVA LMS 0.50505 0.752809
200 9K8 0.504951 0.733333
201 AF3 ADP 3PG 0.504587 0.860759
202 YLY 0.504274 0.831325
203 ZID 0.504202 0.918919
204 S4M 0.5 0.666667
205 V3L 0.5 0.971831
206 FDA 0.5 0.811765
207 LEU LMS 0.5 0.752809
208 DTP 0.5 0.88
209 LPA AMP 0.5 0.839506
210 2AM 0.5 0.916667
211 FNK 0.496183 0.784091
212 6FA 0.496063 0.841463
213 DZD 0.495652 0.884615
214 P5A 0.49505 0.744444
215 DSZ 0.494949 0.821429
216 LSS 0.494949 0.761364
217 MAO 0.494382 0.759036
218 DSH 0.494253 0.725
219 M24 0.491525 0.873418
220 NJP 0.491228 0.92
221 5X8 0.48913 0.786667
222 DAT 0.48913 0.88
223 SFD 0.488372 0.734043
224 FAS 0.488372 0.851852
225 FAD 0.488372 0.851852
226 NAJ PZO 0.487179 0.848101
227 0WD 0.486957 0.896104
228 NPW 0.486726 0.8625
229 7MC 0.486486 0.864198
230 7DT 0.483871 0.957747
231 7DD 0.483516 0.957747
232 GJV 0.483146 0.728395
233 OVE 0.482759 0.88
234 5AD 0.480519 0.746479
235 GSU 0.480392 0.8
236 KAA 0.480392 0.752809
237 NDE 0.48 0.906667
238 N0B 0.479339 0.841463
239 A5D 0.478723 0.786667
240 ODP 0.478261 0.884615
241 RGT 0.47619 0.958904
242 XNP 0.474138 0.85
243 4TA 0.474138 0.807229
244 AMP NAD 0.474138 0.931507
245 62F 0.473684 0.8625
246 NDP 0.473684 0.896104
247 SFG 0.473118 0.773333
248 NDC 0.472441 0.871795
249 YSA 0.471698 0.77907
250 NAJ PYZ 0.471074 0.807229
251 ENP 0.470588 0.918919
252 FAY 0.470149 0.8625
253 TXP 0.469565 0.896104
254 NZQ 0.469565 0.884615
255 DDS 0.46875 0.853333
256 A7D 0.467391 0.776316
257 RFL 0.466667 0.821429
258 ENQ 0.466019 0.943662
259 AAT 0.463918 0.707317
260 SA8 0.463158 0.728395
261 7C5 0.462963 0.818182
262 MHZ 0.462366 0.697674
263 8PZ 0.462264 0.8
264 71V 0.461538 0.883117
265 G A A A 0.461538 0.848101
266 F2N 0.460993 0.793103
267 NEC 0.460674 0.746667
268 A3G 0.460674 0.8
269 GGZ 0.46 0.825
270 6C6 0.458333 0.857143
271 SAH 0.458333 0.766234
272 SAI 0.458333 0.75641
273 P5F 0.457143 0.823529
274 Y3J 0.45679 0.726027
275 A A A 0.456311 0.905405
276 PO4 PO4 A A A A PO4 0.456311 0.902778
277 7D7 0.455696 0.743243
278 SMM 0.454545 0.705882
279 V1N 0.453704 0.944444
280 6IA 0.453608 0.814815
281 SAM 0.453608 0.710843
282 WSA 0.451327 0.788235
283 U A 0.45 0.883117
284 A G 0.449153 0.858974
285 EEM 0.44898 0.710843
286 PGS 0.446809 0.858974
287 ETB 0.446281 0.811765
288 DCA 0.446281 0.802326
289 U A G G 0.445378 0.858974
290 2SA 0.444444 0.932432
291 D5M 0.444444 0.853333
292 DA 0.444444 0.853333
293 GP3 0.443299 0.896104
294 9JJ 0.442857 0.8625
295 128 0.442478 0.776471
296 4YB 0.441441 0.781609
297 GEK 0.441176 0.759494
298 Z5A 0.44 0.77907
299 30N 0.44 0.734043
300 S7M 0.44 0.710843
301 AAM 0.43956 0.943662
302 0T1 0.439024 0.802326
303 COA 0.439024 0.802326
304 12D 0.4375 0.785714
305 FA9 0.4375 0.841463
306 C2R 0.436782 0.90411
307 AMZ 0.436782 0.890411
308 A3S 0.43617 0.810811
309 N6P 0.432692 0.888889
310 PUA 0.430894 0.860759
311 COS 0.428571 0.784091
312 TAP 0.428571 0.883117
313 AMX 0.428571 0.811765
314 1DG 0.428571 0.896104
315 CAO 0.428571 0.775281
316 AIR 0.428571 0.875
317 A6D 0.428571 0.722892
318 DG1 0.428571 0.896104
319 6K6 0.427184 0.90411
320 A3T 0.427083 0.821918
321 NIA 0.426966 0.8
322 649 0.426087 0.744444
323 GTP 0.425743 0.894737
324 SCO 0.425197 0.823529
325 CMX 0.425197 0.823529
326 G2R 0.424528 0.860759
327 GDP 0.424242 0.894737
328 7RA 0.423913 0.930556
329 OXK 0.423077 0.804598
330 0UM 0.423077 0.719512
331 8Q2 0.422414 0.772727
332 FCX 0.421875 0.795455
333 FAM 0.421875 0.784091
334 ACO 0.421875 0.775281
335 GCP 0.421569 0.871795
336 NAP 0.420635 0.918919
337 SXZ 0.420561 0.731707
338 GNH 0.42 0.883117
339 62X 0.419048 0.686047
340 A U 0.418803 0.87013
341 APU 0.418803 0.87013
342 HAX 0.418605 0.784091
343 NVA 2AD 0.418367 0.759494
344 GDC 0.418182 0.884615
345 GKE 0.418182 0.884615
346 GDD 0.418182 0.884615
347 101 0.417582 0.853333
348 GSP 0.417476 0.85
349 3AD 0.416667 0.805556
350 2MC 0.416667 0.75
351 HDV 0.415842 0.868421
352 FYN 0.415385 0.802326
353 3KK 0.415385 0.784091
354 G2Q 0.415094 0.860759
355 K15 0.415094 0.702381
356 NA0 0.414062 0.906667
357 7L1 0.414062 0.775281
358 IVC 0.413534 0.793103
359 S8M 0.413462 0.759494
360 NHD 0.413223 0.905405
361 7RP 0.413043 0.901408
362 MCD 0.412214 0.804598
363 SOP 0.412214 0.784091
364 CA6 0.412214 0.71134
365 COK 0.412214 0.784091
366 1VU 0.409091 0.775281
367 CO6 0.409091 0.784091
368 NMX 0.409091 0.741935
369 CMC 0.409091 0.804598
370 AS 0.408602 0.810127
371 QQY 0.406593 0.815789
372 ACK 0.406593 0.861111
373 6YU 0.40625 0.734043
374 CAJ 0.406015 0.804598
375 SCD 0.406015 0.823529
376 EO7 0.404255 0.788235
377 8BR 0.404255 0.881579
378 GNP 0.403846 0.871795
379 9GM 0.403846 0.871795
380 APX 0.40367 0.907895
381 KB1 0.40367 0.719512
382 TM1 0.40367 0.77381
383 SLU 0.403226 0.770115
384 BCO 0.402985 0.784091
385 MLC 0.402985 0.804598
386 3HC 0.402985 0.793103
387 1HE 0.402985 0.766667
388 A1S 0.402985 0.784091
389 1CZ 0.402878 0.795455
390 CC5 0.402439 0.816901
391 NMN AMP PO4 0.401639 0.87013
392 FAQ 0.40146 0.784091
393 COO 0.4 0.784091
394 YE1 0.4 0.793103
395 MCA 0.4 0.795455
396 CAA 0.4 0.793103
397 2BA 0.4 0.915493
398 CMP 0.4 0.901408
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3EWP; Ligand: APR; Similar sites found with APoc: 228
This union binding pocket(no: 1) in the query (biounit: 3ewp.bio3) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 4UP5 94W None
2 5C2N NAG None
3 2BZ1 TAU None
4 5W7K SAH None
5 4MN3 ACE PHE ALA TYR M3L SER NH2 None
6 4L2H AR6 AR6 1.25786
7 4IF4 BEF 1.69492
8 2VT3 ATP 1.69492
9 1BZL FAD 1.69492
10 3BXO SAM 1.69492
11 1SBR VIB 1.69492
12 3LAD FAD 1.69492
13 6FDF SAH 1.69492
14 5KXE 6Y2 1.69492
15 1BZL GCG 1.69492
16 1L5Y BEF 1.93548
17 1M26 GAL A2G 2.25564
18 4YAG NAI 2.25989
19 1WUU GLA 2.25989
20 2Q28 ADP 2.25989
21 5TS5 FAD 2.25989
22 2BOI MFU 2.65487
23 3HP8 SUC 2.72727
24 2RBK VN4 2.82486
25 2Z9I GLY ALA THR VAL 2.82486
26 5DNK SAH 2.82486
27 3HQP FDP 2.82486
28 5G3U ITW 2.82486
29 6B5K TYD 2.82486
30 5J5Z FAD 2.82486
31 3VSS FRU 2.82486
32 2GN4 NDP 2.82486
33 2ZIF SAM 2.82486
34 1W6F ISZ 2.82486
35 3GEG NAD 2.82486
36 1TL2 NDG 2.82486
37 3KIF GDL 2.83019
38 2WCI GSH 2.96296
39 1BW9 NAD 3.38983
40 5C9P FUC 3.38983
41 2EG5 SAH 3.38983
42 1T5C ADP 3.38983
43 1BG2 ADP 3.38983
44 4B2D SER 3.38983
45 2Q7V FAD 3.38983
46 1YNS HPO 3.38983
47 2HNK SAH 3.38983
48 5GM1 SAH 3.38983
49 2EFJ SAH 3.38983
50 4KFU ACP 3.38983
51 3GRU AMP 3.38983
52 1VKF CIT 3.38983
53 3LCC SAH 3.38983
54 4HXY NDP 3.38983
55 1OGD RIP 3.81679
56 1AE1 NAP 3.9548
57 4NZ6 DGL 3.9548
58 5A1S FLC 3.9548
59 3H8V ATP 3.9548
60 2NVK FAD 3.9548
61 1RTF BEN 3.9548
62 4D04 NAP 3.9548
63 4D04 FAD 3.9548
64 1V59 FAD 3.9548
65 1XDS SAM 3.9548
66 5O3Q CMP 4.16667
67 1TH8 ADP 4.31034
68 1TE2 PGA 4.51977
69 5XHA FRU 4.51977
70 1FP2 SAH 4.51977
71 2AE2 PTO 4.51977
72 5FFF NAP 4.51977
73 2AE2 NAP 4.51977
74 5LOG SAH 4.51977
75 5FEU NAP 4.51977
76 3A3B RBF 4.51977
77 5XLS URA 4.51977
78 6EQS BV8 4.51977
79 1Y8Q ATP 4.51977
80 3RIY NAD 4.51977
81 2UYQ SAM 4.51977
82 3A3B FMN 4.51977
83 1UWK NAD 4.51977
84 1UWK URO 4.51977
85 5VM0 9EG 4.6875
86 5M3E APR 4.84848
87 5YRI GLC GLC 4.92958
88 5J6Y GLC 5.08475
89 5J6Y BGC 5.08475
90 2RAB NAD 5.08475
91 2RAB FAD 5.08475
92 3TKY SAH 5.08475
93 1D4O NAP 5.08475
94 1DJL NAP 5.08475
95 5WBF LAC 5.08475
96 4ZCC FAD 5.08475
97 4ZCC NAI 5.08475
98 4L50 D8X 5.08475
99 5D4V SAH 5.08475
100 3LL5 IP8 5.08475
101 4NRT 2NG 5.08475
102 3L9W AMP 5.64972
103 5XNC MTA 5.64972
104 2BD0 NAP 5.64972
105 1JG3 ADN 5.64972
106 4POO SAM 5.64972
107 4KRG SAH 5.64972
108 2IW3 ADP 5.64972
109 4V1F BQ1 5.81395
110 2FKA BEF 6.20155
111 3EF0 ALF 6.21469
112 4U8P UDP 6.21469
113 2JB2 FAD 6.21469
114 2JB2 PHE 6.21469
115 3SSO SAH 6.21469
116 2P69 PLP 6.21469
117 1PJS NAD 6.21469
118 6MVU K4V 6.21469
119 1VL8 NAP 6.21469
120 4B9E FAH 6.21469
121 4A6D SAM 6.21469
122 1X87 NAD 6.21469
123 3DXY SAM 6.21469
124 4XQC NAD 6.21469
125 4XQC 13D 6.21469
126 2CUN 3PG 6.21469
127 3FGZ BEF 6.25
128 3LST SAH 6.32184
129 3EGI ADP 6.77966
130 1FP1 SAH 6.77966
131 1ZGA SAH 6.77966
132 4ZNO SUC 6.77966
133 5G48 1FL 6.77966
134 2YN4 39J 6.77966
135 1ZK7 FAD 6.77966
136 4M52 FAD 6.77966
137 4Y9D NAI 6.77966
138 2EJU SAH 6.77966
139 4M52 M52 6.77966
140 5MTE BB2 7.29927
141 4WEI GLC GAL 7.34463
142 4RDH AMP 7.34463
143 6C0B MLI 7.34463
144 4CQM NAP 7.34463
145 3R75 PYR 7.34463
146 4DSG UDP 7.34463
147 4DSG FAD 7.34463
148 2R68 SUP 7.34463
149 2I4O ATP 7.34463
150 3RKR NAP 7.34463
151 4D79 ATP 7.34463
152 5DEQ ARA 7.34463
153 4RDI ATP 7.34463
154 4TQG NDP 7.34463
155 1LSS NAD 7.85714
156 3T7S SAM 7.9096
157 2IID FAD 7.9096
158 2IID PHE 7.9096
159 5WP5 SAH 7.9096
160 3KIH GDL 8.24742
161 1KYZ SAH 8.47458
162 2WHX ADP 8.47458
163 1GET FAD 8.47458
164 1GET NAP 8.47458
165 3VC1 GST 8.47458
166 3VC1 SAH 8.47458
167 3AB4 THR 8.47458
168 4II2 ATP 8.58896
169 2ZX2 RAM 9.03955
170 1REO FAD 9.03955
171 4DD8 BAT 9.03955
172 3ZIA ADP 9.42029
173 1NJR XYL 9.60452
174 6HH6 A3R 9.60452
175 2Y65 ADP 9.60452
176 5TE1 7A2 9.60452
177 1ON3 DXX 9.60452
178 4WOH 4NP 9.63855
179 5GZ9 MAN 10.1695
180 3SIG AR6 10.1695
181 5FA5 MTA 10.1695
182 1ZQ9 SAM 10.1695
183 2V57 PRL 10.1695
184 2EXX NAP 10.1695
185 3IID APR 10.7345
186 4PPF FLC 10.7345
187 1PNO NAP 10.7345
188 2UZH IPE 10.9091
189 2OOR TXP 10.9195
190 2HQM FAD 11.8644
191 1NM5 NAP 12.3153
192 1NM5 NAD 12.3153
193 3L6R MLI 12.4294
194 1RV0 NDG 12.4294
195 5H4S RAM 12.9944
196 2FUE M1P 12.9944
197 3VSE SAH 12.9944
198 2NUO BGC 13.1148
199 2GUD MAN 13.1148
200 2NU5 NAG 13.1148
201 2GUC MAN 13.1148
202 3G89 SAM 13.253
203 1UAY ADN 13.5593
204 5APG EEM 13.5593
205 5L95 AMP 13.75
206 1J6X MET 13.75
207 6ECU SAH 14.1243
208 6ECW SAH 15.2542
209 2F5Z FAD 15.625
210 1V2G OCA 16.3842
211 1F6D UDP 16.9492
212 3HGM ATP 17.6871
213 1T0S BML 18.6047
214 1T9D P22 19.774
215 1IXE COA 22.5989
216 5LW0 AR6 24.2938
217 4J5R A1R 26.0274
218 4IQY AR6 26.5537
219 5CB3 APR 28.2486
220 3GPO APR 28.5714
221 3TD3 GLY 29.2683
222 3RNM FAD 32.7586
223 5FSY AR6 35.5932
224 2FAV APR 37.2881
225 4D86 ADP 38.9831
226 5LAU AR6 41.2429
227 5DUS APR 44.6429
228 2BFR ADP 48.5876
Pocket No.: 2; Query (leader) PDB : 3EWP; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3ewp.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3EWP; Ligand: APR; Similar sites found with APoc: 104
This union binding pocket(no: 3) in the query (biounit: 3ewp.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 3FUU ADN None
2 4F4S EFO None
3 3TY3 GGG 1.69492
4 1PVS 7HP 2.25989
5 3N26 ARG 2.25989
6 2EWM NAD 2.25989
7 1XPJ TLA 2.38095
8 2V7B BEZ 2.82486
9 5G3U FDA 2.82486
10 5TWB FAD 2.82486
11 4AT0 FAD 3.38983
12 3G6N MET ALA SER 3.38983
13 1H82 FAD 3.38983
14 1H82 GZZ 3.38983
15 5W6Y TRP 3.38983
16 4RL4 PPV 3.38983
17 6B74 BEN 3.38983
18 1XSE NDP 3.38983
19 1SDW IYT 3.38983
20 5KJW 53C 3.38983
21 1OBD AMP 3.38983
22 1ZBQ NAD 3.38983
23 5AHO TLA 3.9548
24 3FIU POP 3.9548
25 3QJ4 FAD 3.9548
26 4FN4 NAD 3.9548
27 1QPR PHT 3.9548
28 1KZL CRM 3.9548
29 3GUZ PAF 3.97727
30 5FFF 5XC 4.51977
31 3ZV6 4HB 4.51977
32 3ZV6 NAD 4.51977
33 4YMZ 13P 4.51977
34 1E5Q NDP 4.51977
35 1PR9 NAP 4.51977
36 2V6G NAP 5.08475
37 4PIO SAH 5.08475
38 4DFU QUE 5.64972
39 5IKB KAI 5.64972
40 4C3Y FAD 5.64972
41 3B8I OXL 5.64972
42 4C3Y ANB 5.64972
43 2VAR AMP 5.64972
44 2C31 TZD 5.64972
45 2C31 ADP 5.64972
46 4XUC SAM 5.64972
47 4XUC 43G 5.64972
48 1MFI FHC 6.14035
49 2F6U CIT 6.21469
50 2IVD FAD 6.21469
51 5XWV NDP 6.21469
52 5XWV 8H6 6.21469
53 4M6T SAM 6.21469
54 1EDO NAP 6.21469
55 6F7L FAD 6.33484
56 2PHX MAN MAN 6.77966
57 1Q8Q MAN MMA 6.77966
58 1Q8S MAN MMA 6.77966
59 1RSG FAD 6.77966
60 2PHF MAN MAN 6.77966
61 2GND MAN MMA 6.77966
62 2PHR MAN MAN 6.77966
63 6HKE LMR 6.77966
64 2PHW MAN MAN 6.77966
65 4EDF UPG 6.77966
66 2G5C NAD 6.77966
67 1GXS BEZ 6.96203
68 3U4C NDP 7.34463
69 6F9Q NAD 7.34463
70 1IY8 NAD 7.34463
71 4ITU NAI 7.43494
72 4ITU 1HS 7.43494
73 1D4D FAD 7.9096
74 2DTX BMA 7.9096
75 4YSX FAD 8.33333
76 4MOP 2H5 8.47458
77 2XRH NIO 9
78 3A70 NPO 9.03955
79 3FPZ AHZ 9.03955
80 5GT9 NAP 9.03955
81 1APZ ASP 9.25926
82 2FR1 NDP 9.60452
83 6E1Q CFA 9.60452
84 1TUK PGM 10.4478
85 2Z3Y F2N 10.7345
86 4LUT DCS 11.2994
87 4FC7 NAP 11.8644
88 4FC7 COA 11.8644
89 5IXB LGA 12.037
90 1XF1 CIT 12.4294
91 1XKQ NDP 12.9944
92 6CI9 NAP 12.9944
93 2HYR BGC GLC 13.1148
94 3RHC GSH 13.2743
95 1BDB NAD 13.5593
96 1QO8 FAD 14.6893
97 1MFA GLA MMA ABE 14.9606
98 3FJG 3PG 17.5141
99 2ZZV LAC 17.5141
100 3BMO AX4 17.5141
101 1FEC FAD 18.6441
102 5TVI O8N 20.6522
103 2KIN ADP 22
104 1XZ3 ICF 22.4138
Pocket No.: 4; Query (leader) PDB : 3EWP; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3ewp.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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