Receptor
PDB id Resolution Class Description Source Keywords
2RIO 2.4 Å EC: 2.7.11.1 STRUCTURE OF THE DUAL ENZYME IRE1 REVEALS THE BASIS FOR CATA REGULATION OF NON-CONVENTIONAL SPLICING SACCHAROMYCES CEREVISIAE PROTEIN-NUCLEOTIDE COMPLEX ATP-BINDING ENDOPLASMIC RETICULGLYCOPROTEIN HYDROLASE KINASE MAGNESIUM MEMBRANE METALMULTIFUNCTIONAL ENZYME NUCLEOTIDE-BINDING PHOSPHORYLATIONSERINE/THREONINE-PROTEIN KINASE TRANSCRIPTION TRANSCRIPTIREGULATION TRANSFERASE TRANSMEMBRANE UNFOLDED PROTEIN RE
Ref.: STRUCTURE OF THE DUAL ENZYME IRE1 REVEALS THE BASIS CATALYSIS AND REGULATION IN NONCONVENTIONAL RNA SPL CELL(CAMBRIDGE,MASS.) V. 132 89 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:1101;
B:2101;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:1102;
B:2102;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
SR A:1103;
B:2103;
Invalid;
Invalid;
none;
none;
submit data
87.62 Sr [Sr+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2RIO 2.4 Å EC: 2.7.11.1 STRUCTURE OF THE DUAL ENZYME IRE1 REVEALS THE BASIS FOR CATA REGULATION OF NON-CONVENTIONAL SPLICING SACCHAROMYCES CEREVISIAE PROTEIN-NUCLEOTIDE COMPLEX ATP-BINDING ENDOPLASMIC RETICULGLYCOPROTEIN HYDROLASE KINASE MAGNESIUM MEMBRANE METALMULTIFUNCTIONAL ENZYME NUCLEOTIDE-BINDING PHOSPHORYLATIONSERINE/THREONINE-PROTEIN KINASE TRANSCRIPTION TRANSCRIPTIREGULATION TRANSFERASE TRANSMEMBRANE UNFOLDED PROTEIN RE
Ref.: STRUCTURE OF THE DUAL ENZYME IRE1 REVEALS THE BASIS CATALYSIS AND REGULATION IN NONCONVENTIONAL RNA SPL CELL(CAMBRIDGE,MASS.) V. 132 89 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 2RIO - ADP C10 H15 N5 O10 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 82 families.
1 2RIO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 4YZ9 Ki = 200 nM 4K7 C24 H29 Cl2 N3 O Cc1ccc(cc1....
2 4YZC ic50 = 3 nM STU C28 H26 N4 O3 C[C@@]12[C....
3 2RIO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 435
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 AQP 0.887324 1
5 5FA 0.887324 1
6 AP5 0.884058 0.971831
7 B4P 0.884058 0.971831
8 BA3 0.869565 0.971831
9 AN2 0.84507 0.985915
10 M33 0.833333 0.958333
11 ACQ 0.826667 0.972222
12 A 0.823529 0.971429
13 AMP 0.823529 0.971429
14 ACP 0.821918 0.972222
15 AR6 0.810811 0.971831
16 APR 0.810811 0.971831
17 ANP 0.802632 0.972222
18 AD9 0.8 0.972222
19 AGS 0.8 0.945946
20 SAP 0.8 0.945946
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 TAT 0.779221 0.958904
24 AMP MG 0.774648 0.891892
25 50T 0.773333 0.958333
26 ABM 0.763889 0.917808
27 APC 0.763158 0.958904
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.958904
30 A22 0.753086 0.985915
31 A12 0.743243 0.958904
32 AP2 0.743243 0.958904
33 ADP MG 0.736842 0.905405
34 SRA 0.736111 0.918919
35 ADQ 0.73494 0.945205
36 25L 0.732558 0.985915
37 ADP BEF 0.727273 0.881579
38 BEF ADP 0.727273 0.881579
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 ADP PO3 0.708861 0.943662
44 PAP 0.708861 0.985714
45 ATR 0.708861 0.971429
46 SRP 0.707317 0.906667
47 7D3 0.706667 0.905405
48 25A 0.702381 0.971831
49 ATP MG 0.7 0.905405
50 OAD 0.697674 0.945205
51 RBY 0.6875 0.932432
52 ADV 0.6875 0.932432
53 00A 0.686047 0.883117
54 5SV 0.682353 0.848101
55 8QN 0.682353 0.931507
56 OOB 0.682353 0.931507
57 3OD 0.681818 0.945205
58 BIS 0.681818 0.933333
59 ADP ALF 0.674699 0.87013
60 ALF ADP 0.674699 0.87013
61 AMO 0.674419 0.932432
62 4AD 0.674419 0.92
63 PAJ 0.674419 0.884615
64 GAP 0.670732 0.893333
65 MAP 0.670588 0.945946
66 DLL 0.666667 0.931507
67 ANP MG 0.666667 0.894737
68 VO4 ADP 0.666667 0.931507
69 AHX 0.666667 0.896104
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LAD 0.651685 0.860759
75 WAQ 0.651685 0.883117
76 PR8 0.651685 0.85
77 ITT 0.65 0.943662
78 7D4 0.65 0.905405
79 G5P 0.648936 0.921053
80 RAB 0.647059 0.84507
81 ADN 0.647059 0.84507
82 XYA 0.647059 0.84507
83 TXA 0.644444 0.932432
84 1ZZ 0.644444 0.839506
85 ME8 0.644444 0.839506
86 NB8 0.644444 0.896104
87 FYA 0.644444 0.905405
88 6AD 0.642857 0.909091
89 ADP BMA 0.640449 0.918919
90 G3A 0.638298 0.921053
91 DAL AMP 0.632184 0.905405
92 AFH 0.631579 0.884615
93 9SN 0.630435 0.871795
94 GTA 0.625 0.886076
95 YAP 0.623656 0.894737
96 FA5 0.623656 0.906667
97 UP5 0.622449 0.92
98 XAH 0.617021 0.839506
99 AV2 0.616279 0.917808
100 AOC 0.615385 0.821918
101 48N 0.612245 0.896104
102 4UV 0.610526 0.894737
103 TXD 0.606061 0.907895
104 DND 0.606061 0.932432
105 NAX 0.606061 0.873418
106 NXX 0.606061 0.932432
107 NAI 0.606061 0.907895
108 6V0 0.606061 0.896104
109 5N5 0.605634 0.819444
110 5AS 0.604938 0.77907
111 A4P 0.60396 0.843373
112 DAT 0.60241 0.905405
113 A2R 0.602273 0.985915
114 TXE 0.6 0.907895
115 OMR 0.6 0.851852
116 4UU 0.597938 0.894737
117 A A 0.597826 0.944444
118 A4D 0.597222 0.819444
119 5CD 0.597222 0.805556
120 AP0 0.594059 0.896104
121 4TC 0.594059 0.896104
122 A3P 0.592593 0.971429
123 139 0.592233 0.873418
124 T5A 0.592233 0.841463
125 7D5 0.592105 0.878378
126 ATP A A A 0.589474 0.930556
127 LAQ 0.585859 0.839506
128 MYR AMP 0.585106 0.817073
129 YLP 0.58 0.819277
130 UPA 0.578431 0.907895
131 7DD 0.578313 0.985714
132 ADJ 0.576923 0.851852
133 3AM 0.576923 0.929577
134 COD 0.575472 0.811765
135 NAD 0.575472 0.931507
136 3AT 0.574713 0.971831
137 JB6 0.574468 0.883117
138 4UW 0.574257 0.860759
139 EP4 0.573333 0.753247
140 A2P 0.573171 0.957143
141 CNA 0.571429 0.932432
142 TYM 0.568627 0.906667
143 PPS 0.568182 0.873418
144 TYR AMP 0.56701 0.881579
145 DTA 0.565789 0.786667
146 M2T 0.565789 0.734177
147 AR6 AR6 0.565657 0.917808
148 A3D 0.564815 0.918919
149 3DH 0.564103 0.773333
150 G5A 0.563218 0.77907
151 YLB 0.563107 0.819277
152 YLC 0.563107 0.839506
153 AMP DBH 0.561224 0.893333
154 MTA 0.558442 0.773333
155 DTP 0.556818 0.905405
156 AHZ 0.554455 0.817073
157 NA7 0.553191 0.958904
158 IOT 0.552381 0.831325
159 7MD 0.55 0.8625
160 ZAS 0.55 0.766234
161 IMO 0.548781 0.929577
162 YLA 0.54717 0.819277
163 NAE 0.544643 0.894737
164 TAD 0.544554 0.884615
165 A5A 0.544444 0.807229
166 2AM 0.544304 0.943662
167 TSB 0.543478 0.819277
168 6RE 0.54321 0.759494
169 AYB 0.542056 0.809524
170 NAQ 0.539823 0.871795
171 V3L 0.539326 0.971831
172 ARG AMP 0.539216 0.829268
173 AF3 ADP 3PG 0.538462 0.8375
174 SSA 0.538462 0.8
175 LA8 ALF 3PG 0.538462 0.8375
176 ALF ADP 3PG 0.538462 0.8375
177 ZID 0.535088 0.918919
178 LPA AMP 0.533981 0.817073
179 54H 0.532609 0.788235
180 52H 0.532609 0.77907
181 VMS 0.532609 0.788235
182 BTX 0.53211 0.841463
183 J7C 0.53012 0.769231
184 A3N 0.53012 0.786667
185 5X8 0.528736 0.763158
186 BT5 0.527273 0.831325
187 5CA 0.526882 0.8
188 53H 0.526882 0.77907
189 ARU 0.526316 0.860759
190 EAD 0.525862 0.873418
191 RGT 0.525253 0.958904
192 OVE 0.52439 0.905405
193 S4M 0.52381 0.666667
194 7DT 0.522727 0.985714
195 GDP 0.522222 0.92
196 DDS 0.522222 0.878378
197 AVV 0.521277 0.896104
198 NDE 0.521008 0.932432
199 7MC 0.518868 0.841463
200 DSH 0.518072 0.725
201 MAO 0.517647 0.759036
202 LSS 0.515789 0.761364
203 DSZ 0.515789 0.8
204 NSS 0.515789 0.8
205 P5A 0.515464 0.744444
206 DZD 0.513514 0.884615
207 NVA LMS 0.510417 0.761364
208 12D 0.509615 0.785714
209 NAD IBO 0.509091 0.87013
210 M24 0.508772 0.85
211 YLY 0.508772 0.809524
212 P1H 0.508333 0.851852
213 5AD 0.506849 0.746479
214 GJV 0.505882 0.75
215 LEU LMS 0.505155 0.761364
216 G A A A 0.504505 0.871795
217 4TA 0.504505 0.807229
218 NAJ PZO 0.504425 0.848101
219 KAA 0.5 0.752809
220 NDC 0.5 0.871795
221 7D7 0.5 0.743243
222 71V 0.5 0.907895
223 A3G 0.5 0.8
224 128 0.5 0.776471
225 GSU 0.5 0.77907
226 N0B 0.495726 0.819277
227 NJP 0.495495 0.945946
228 ODP 0.495495 0.909091
229 2SA 0.494624 0.932432
230 6C6 0.494505 0.881579
231 SFG 0.494382 0.75
232 0WD 0.491071 0.921053
233 YSA 0.490196 0.77907
234 PO4 PO4 A A A A PO4 0.489796 0.902778
235 6IA 0.48913 0.8375
236 SAM 0.48913 0.690476
237 A7D 0.488636 0.776316
238 6FA 0.488 0.841463
239 FB0 0.487805 0.804598
240 NAJ PYZ 0.487179 0.85
241 IDP 0.483516 0.918919
242 A5D 0.483516 0.786667
243 SA8 0.483516 0.707317
244 MHZ 0.483146 0.697674
245 PGS 0.483146 0.883117
246 D5M 0.482353 0.878378
247 DA 0.482353 0.878378
248 NEC 0.482353 0.746667
249 NIA 0.481928 0.822785
250 Y3J 0.480519 0.726027
251 FAD 0.480315 0.851852
252 FAS 0.480315 0.851852
253 FDA 0.48 0.833333
254 N6P 0.479592 0.915493
255 GGZ 0.479167 0.825
256 SAH 0.478261 0.74359
257 SAI 0.478261 0.734177
258 NPW 0.477477 0.886076
259 NDP 0.477477 0.921053
260 AAM 0.476744 0.971429
261 AMZ 0.47561 0.916667
262 C2R 0.47561 0.90411
263 A A A 0.474747 0.905405
264 GTP 0.473684 0.92
265 U A G G 0.473684 0.883117
266 SMM 0.473684 0.686047
267 TXP 0.473214 0.921053
268 NZQ 0.473214 0.909091
269 A3S 0.47191 0.810811
270 AMP NAD 0.470588 0.881579
271 SFD 0.46875 0.734043
272 AIR 0.468354 0.901408
273 AAT 0.468085 0.707317
274 EEM 0.468085 0.690476
275 Z5A 0.466667 0.77907
276 7C5 0.466667 0.818182
277 J7V 0.466667 0.833333
278 62F 0.465649 0.8625
279 FAY 0.462121 0.8625
280 ETB 0.461538 0.833333
281 DCA 0.461538 0.823529
282 A3T 0.461538 0.821918
283 A6D 0.46 0.722892
284 A U 0.459459 0.87013
285 6K6 0.459184 0.930556
286 GEK 0.459184 0.7375
287 RFL 0.458647 0.821429
288 S7M 0.458333 0.690476
289 NAP 0.458333 0.945205
290 4YB 0.457944 0.761364
291 WSA 0.454545 0.788235
292 TAP 0.454545 0.907895
293 FNK 0.454545 0.804598
294 COA 0.453782 0.823529
295 0T1 0.453782 0.823529
296 101 0.453488 0.878378
297 XNP 0.452174 0.873418
298 NA0 0.45082 0.932432
299 7RP 0.448276 0.928571
300 GP3 0.446809 0.921053
301 TM1 0.446602 0.77381
302 APU 0.446429 0.894737
303 PUA 0.445378 0.884615
304 V1N 0.443396 0.917808
305 7RA 0.443182 0.957747
306 30N 0.442623 0.752688
307 CAO 0.442623 0.795455
308 AMX 0.442623 0.833333
309 COS 0.442623 0.804598
310 ACK 0.44186 0.861111
311 QQY 0.44186 0.815789
312 649 0.441441 0.744444
313 0UM 0.44 0.698795
314 NHD 0.439655 0.905405
315 CMX 0.439024 0.823529
316 SCO 0.439024 0.823529
317 GCP 0.438776 0.896104
318 8BR 0.438202 0.906667
319 GNH 0.4375 0.907895
320 3AD 0.4375 0.805556
321 62X 0.435644 0.666667
322 ACO 0.435484 0.795455
323 FCX 0.435484 0.795455
324 FAM 0.435484 0.804598
325 GNP 0.434343 0.896104
326 NMX 0.433071 0.76087
327 MGP 0.43299 0.884615
328 PLP AAD 0.432203 0.741573
329 26A 0.432099 0.763158
330 HAX 0.432 0.804598
331 K15 0.431373 0.682353
332 DG1 0.430894 0.921053
333 1DG 0.430894 0.921053
334 QQX 0.430233 0.805195
335 2VA 0.430108 0.8
336 S8M 0.43 0.759494
337 2MC 0.429688 0.769231
338 3KK 0.428571 0.804598
339 6G0 0.428571 0.884615
340 FYN 0.428571 0.823529
341 P5F 0.428571 0.823529
342 NAD BBN 0.428571 0.841463
343 U G A 0.427481 0.839506
344 AS 0.426966 0.833333
345 FAI 0.426966 0.916667
346 RMB 0.426966 0.873239
347 1RB 0.425287 0.885714
348 MCD 0.425197 0.804598
349 OXK 0.425197 0.804598
350 COK 0.425197 0.804598
351 CA6 0.425197 0.729167
352 SOP 0.425197 0.804598
353 G1R 0.424242 0.907895
354 CC5 0.423077 0.816901
355 SXZ 0.423077 0.710843
356 F2N 0.422535 0.813953
357 NAD CJ3 0.422222 0.811765
358 ANZ 0.422018 0.8
359 CMC 0.421875 0.804598
360 CO6 0.421875 0.804598
361 1VU 0.421875 0.795455
362 ZDA 0.421053 0.864865
363 GDD 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDC 0.420561 0.884615
366 NFD 0.420168 0.883117
367 GSP 0.42 0.873418
368 D3Y 0.42 0.789474
369 MC4 0.419847 0.76087
370 3L1 0.419753 0.773333
371 3D1 0.419753 0.773333
372 FA9 0.41958 0.864198
373 5GP 0.419355 0.906667
374 G 0.419355 0.906667
375 KB1 0.419048 0.698795
376 SCD 0.418605 0.823529
377 CAJ 0.418605 0.804598
378 2BA 0.417582 0.915493
379 CMP 0.417582 0.901408
380 SO8 0.416667 0.789474
381 N01 0.416667 0.905405
382 VRT 0.416667 0.769231
383 3HC 0.415385 0.813953
384 A1S 0.415385 0.804598
385 BCO 0.415385 0.804598
386 IVC 0.415385 0.813953
387 MLC 0.415385 0.804598
388 1HE 0.415385 0.786517
389 NMN AMP PO4 0.415254 0.87013
390 2FA 0.414634 0.813333
391 MGO 0.414141 0.860759
392 3NZ 0.413462 0.782051
393 MCA 0.412214 0.795455
394 CAA 0.412214 0.813953
395 YE1 0.412214 0.813953
396 COO 0.412214 0.804598
397 GAV 0.411765 0.884615
398 P2P 0.411111 0.902778
399 JLN 0.411111 0.890411
400 ZZB 0.410256 0.77381
401 CNV FAD 0.410072 0.793103
402 SCA 0.409091 0.804598
403 RP1 0.409091 0.842105
404 103 0.409091 0.837838
405 2CP 0.409091 0.795455
406 SP1 0.409091 0.842105
407 PAX 0.408 0.829268
408 FAD NBT 0.407143 0.75
409 NVA 2AD 0.40625 0.74359
410 COW 0.406015 0.795455
411 BYC 0.406015 0.804598
412 2KQ 0.406015 0.786517
413 COF 0.406015 0.786517
414 3CP 0.406015 0.804598
415 IRC 0.406015 0.813953
416 1GZ 0.406015 0.795455
417 HGG 0.406015 0.804598
418 CA8 0.406015 0.729167
419 G2P 0.405941 0.884615
420 SLU 0.404959 0.770115
421 U A C C 0.404959 0.858974
422 RBZ 0.404494 0.849315
423 1CZ 0.404412 0.795455
424 BCA 0.402985 0.795455
425 FAQ 0.402985 0.804598
426 4CA 0.402985 0.795455
427 MTP 0.402439 0.730769
428 8OD 0.402062 0.945205
429 CO7 0.401515 0.804598
430 DAL FAD PER 0.401408 0.809524
431 G2R 0.4 0.884615
432 HXC 0.4 0.786517
433 ENQ 0.4 0.916667
434 GMV 0.4 0.896104
435 GRA 0.4 0.804598
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2RIO; Ligand: ADP; Similar sites found: 282
This union binding pocket(no: 1) in the query (biounit: 2rio.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2PUL ACP 0.00002674 0.51033 1.25945
2 3ETH ATP 0.004172 0.4211 1.69014
3 2PYW ADP 0.00002212 0.48767 1.90476
4 1DZK PRZ 0.006191 0.40945 1.91083
5 3TY5 ATP 0.002033 0.40772 1.93705
6 3UDZ ADP 0.00001461 0.5275 2.07373
7 2IO8 ADP 0.0004234 0.41971 2.07373
8 2QK4 ATP 0.002771 0.40182 2.07373
9 3VOT ADP 0.001885 0.41483 2.11765
10 1CKM GTP 0.01406 0.40504 2.12121
11 4FHD 0TT 0.01353 0.41052 2.17391
12 4FHD EEM 0.01353 0.41052 2.17391
13 5OFW 9TW 0.02103 0.40087 2.24215
14 2VPQ ANP 0.0003407 0.47253 2.30415
15 2VQD AP2 0.0006314 0.42982 2.30415
16 3HAV ATP 0.000554 0.4106 2.34114
17 3KA2 2NC 0.02452 0.41393 2.46305
18 1SU2 ATP 0.003555 0.41014 2.51572
19 3WVR AMP 0.0004779 0.45001 2.53456
20 4U98 ACP 0.001394 0.4343 2.53456
21 5DZT AMP 0.007948 0.42265 2.53456
22 2Z48 NGA 0.004071 0.44247 2.5463
23 3X01 AMP 0.002414 0.45099 2.79898
24 2QS8 MET 0.01563 0.40718 2.87081
25 4OCJ NDG 0.00003784 0.53908 2.90237
26 5MRH Q9Z 0.001392 0.45423 2.99539
27 5VZ0 ADP 0.0009196 0.4423 2.99539
28 1W2D ADP 0.001267 0.45075 3.01887
29 5KBE IPH 0.01826 0.40377 3.05677
30 4OCV ANP 0.0001347 0.48423 3.16623
31 3OJI PYV 0.008965 0.40422 3.1746
32 3DNT ATP 0.001641 0.44315 3.22581
33 4XYM A12 0.0009599 0.42846 3.22581
34 4R78 AMP 0.00004257 0.52823 3.23625
35 4ANW O92 0.001029 0.46353 3.45622
36 5LRT ADP 0.007489 0.41443 3.45622
37 1GSA ADP 0.0003943 0.46963 3.48101
38 2IF8 ADP 0.001468 0.45889 3.58127
39 5K2M ADP 0.002351 0.43599 3.77358
40 4XMF HSM 0.0002019 0.51765 3.80435
41 5I35 ANP 0.000004349 0.54525 3.81679
42 3VPD ANP 0.005098 0.41714 3.91459
43 4AZW ATP 0.00252 0.42915 3.91705
44 2CFM AMP 0.01426 0.40056 3.91705
45 3ORQ ADP 0.002773 0.40387 3.97878
46 4GYI ADP 0.00004888 0.51123 4.03023
47 2R3A SAM 0.003096 0.4211 4.33333
48 3LVW GSH 0.02089 0.40592 4.37788
49 4CYI ATP 0.000008469 0.54078 4.60829
50 3VPC ADP 0.0007791 0.42017 4.60993
51 1ZTH ADP 0.00001418 0.50051 4.65116
52 1ZP9 ATP 0.00004378 0.49259 4.65116
53 4LO2 GAL BGC 0.007858 0.42343 4.7619
54 2HGS ADP 0.001797 0.43957 4.83871
55 3ZJX BOG 0.003135 0.44573 4.84429
56 1T3D CYS 0.006668 0.43467 4.84429
57 4RDL FUC GAL NDG FUC 0.01808 0.40583 4.87013
58 4ZS4 ATP 0.000001688 0.54057 4.88599
59 5JLB SAH 0.007154 0.40279 5.01792
60 3S43 478 0.01186 0.41074 5.05051
61 1PK8 ATP 0.000997 0.40281 5.06912
62 5C4L 4XR 0.00009018 0.51191 5.29595
63 5C4L SIS 0.0005618 0.47449 5.29595
64 1XVB BHL BHL 0.01725 0.40509 5.29954
65 5TDF ADP 0.003705 0.42159 5.33643
66 1VBJ CIT 0.0113 0.40068 5.33808
67 3PDT ADP 0.000002545 0.56297 5.45455
68 4FE2 ADP 0.002809 0.42952 5.4902
69 3KJS NAP 0.01557 0.40515 5.52995
70 1M0W ANP 0.006435 0.4007 5.52995
71 5GZ9 ANP 0.0000000004421 0.74108 5.57377
72 5G5G FAD 0.0233 0.40933 5.67686
73 2BKK ADP 0.0006057 0.44179 5.68182
74 4IX4 ADP 0.0002026 0.47856 5.71429
75 3KMT SAH 0.007212 0.40644 5.88235
76 2BL9 CP6 0.02469 0.40341 5.88235
77 5FLJ QUE 0.009059 0.40745 5.91398
78 4PU5 ANP 0.000776 0.41834 5.99078
79 4L2I FAD 0.02751 0.40012 6.06936
80 1U18 HSM 0.01731 0.4062 6.48649
81 2AQX ATP 0.002516 0.43108 6.57439
82 1IA9 ANP 0.0000225 0.49649 6.78571
83 3SM2 478 0.02554 0.40368 6.81818
84 1AUX AGS 0.001143 0.43159 7.07396
85 5MW8 ATP 0.00002241 0.52645 7.14286
86 4OYA 1VE 0.00728 0.44845 7.14286
87 1OBD ATP 0.001323 0.42442 7.18954
88 4WW7 AMP 0.00006827 0.50218 7.27969
89 2XG5 EC5 0.008124 0.41259 7.33945
90 2XG5 EC2 0.008124 0.41259 7.33945
91 4Q5H ANP 0.00004368 0.49295 7.47126
92 1I7L ATP 0.00104 0.4081 8.09062
93 1TQP ATP 0.00006727 0.44894 8.51064
94 1FQK ALF 0.0111 0.41931 8.84354
95 5IQD GNP 0.0004089 0.48805 8.85246
96 5IQD RIO 0.000435 0.48805 8.85246
97 1WBI BTN 0.006087 0.40136 9.30233
98 3I0O ADP 0.001217 0.45158 9.43953
99 2GQR ADP 0.001369 0.43464 9.70464
100 4YNM SAM 0.005515 0.4099 10.177
101 5CKW ANP 0.0001616 0.49332 10.5991
102 3TDV GDP 0.000005447 0.53217 11.1111
103 4XH0 ADP 0.000002529 0.60454 11.2903
104 2GQS ADP 0.00147 0.43327 13.0802
105 2GQS C2R 0.003673 0.41037 13.0802
106 5ML3 DL3 0.0177 0.41044 13.4228
107 4WB7 ATP 0.000000002149 0.50797 13.8272
108 3PVW QRX 0.000000008418 0.5586 14.2857
109 1N62 FAD 0.01533 0.41547 15.0602
110 3B6R CRN 0.0001596 0.5013 15.748
111 2QCS ANP 0.0000000000759 0.78611 16
112 1RE8 BD2 0.00000003467 0.69748 16
113 3IDB ANP 0.000000002229 0.61345 16
114 2GU8 796 0.00000003395 0.41109 16.0237
115 4WB6 ATP 0.0000000000493 0.79479 16.2857
116 3FHI ANP 0.00000000005563 0.79236 16.2857
117 5LPZ ADP 0.00000003305 0.62323 16.8675
118 3VHE 42Q 0.0000005929 0.47337 17.8273
119 2UYN 2KT 0.00996 0.40851 17.8295
120 4YMJ 4EJ 0.000002269 0.60461 18.0921
121 2QLU ADE 0.0000002647 0.66543 18.4713
122 5LPB ADP 0.00000005317 0.65909 18.9189
123 3LXK MI1 0.00000001318 0.54862 19.2661
124 3VPB ADP 0.0003317 0.41995 19.6429
125 4KBA 1QM 0.00008565 0.42416 20.5438
126 3VRY B43 0.000001585 0.4891 21.4286
127 5T8O 76Z 0.00000002618 0.59818 22.3496
128 4Y93 746 0.000000291 0.51811 22.5806
129 4BTK DTQ 0.00006969 0.49456 22.8487
130 4CRL C1I 0.000006712 0.43231 23.1527
131 1OPK P16 0.00009983 0.40961 23.2719
132 5UKL SIX 0.000000005424 0.70302 24.1935
133 3LXN MI1 0.000000000475 0.73258 24.2138
134 5LXC 7AA 0.000000004165 0.66654 24.5098
135 4Y85 499 0.000002427 0.55647 25
136 3GNI ATP 0.00000001577 0.60812 25.1928
137 4GJ3 0XP 0.0000001348 0.64497 25.4967
138 4FF8 14S 0.0001298 0.45762 25.6966
139 5C03 AGS 0.0000009485 0.56258 26.0234
140 4E93 GUI 0.00000002539 0.50335 26.2599
141 4L9I 8PR 0.00000001501 0.65425 26.2673
142 4E1Z 0MX 0.0000002226 0.54644 26.4605
143 5AWM ANP 0.00000001101 0.69165 26.9036
144 3G5D 1N1 0.00000226 0.61844 26.9231
145 1JPA ANP 0.000000179 0.4277 26.9231
146 3KMW ATP 0.00003144 0.50722 26.9373
147 4IDT T28 0.000000001155 0.70357 26.9663
148 3IGO ANP 0.00000001417 0.59713 27.1889
149 5JFS 6K0 0.000002819 0.59648 27.2727
150 2XVD AS6 0.0000004287 0.61701 27.4834
151 3BU5 ATP 0.000000002149 0.6956 27.7778
152 1Y57 MPZ 0.000001249 0.58365 27.8802
153 3EKK GS2 0.0000001959 0.45645 28.013
154 2H8H H8H 0.00000007586 0.62662 28.1106
155 4YLL 4E3 0.00000002881 0.65833 28.2548
156 3KRL KRL 0.000005259 0.5527 28.3582
157 4WOV 3SM 0.00005873 0.50753 28.3912
158 5HCY 60D 0.00000001478 0.4482 28.7009
159 4FL3 ANP 0.000000000395 0.65667 28.8018
160 4P5Z Q7M 0.000003752 0.41862 28.8089
161 4ASE AV9 0.00002256 0.53471 29.1785
162 3PP0 03Q 0.0000001094 0.52237 29.2899
163 4DC2 ADE 0.0000004364 0.50014 29.2929
164 4OTH DRN 0.00000001717 0.59665 29.6188
165 2F2U M77 0.0000003374 0.6209 29.8507
166 5EFQ ADP 0.00000000957 0.6464 30.2594
167 4NST ADP 0.00000003193 0.64337 30.7692
168 3HZT J60 0.0000002054 0.63116 31.106
169 4WNK 453 0.0000000003214 0.57659 31.106
170 3C1X CKK 0.00005115 0.46137 31.3673
171 5TA6 79D 0.0000005378 0.49678 31.5642
172 3TTI KBI 0.000000006091 0.55621 31.5668
173 2OO8 RAJ 0.001685 0.43898 31.8612
174 5HES 032 0.000002332 0.56872 31.9218
175 3KRR DQX 0.00000009679 0.69555 32.2034
176 3SXF BK5 0.0000001308 0.6518 32.4885
177 4AG8 AXI 0.000004387 0.42428 32.5949
178 4QTB 38Z 0.00000002196 0.67729 32.6316
179 2PVF ACP 0.0000000001055 0.74958 32.6347
180 2CSN CKI 0.000000005265 0.70087 32.6599
181 2JLD AG1 0.0000001028 0.48601 32.8571
182 4CLI 5P8 0.00000008731 0.6746 33.0275
183 5HX8 66P 0.00000001515 0.5555 33.1126
184 3E8N VRA 0.0000000008606 0.46697 33.4311
185 3E8N ATP 0.0000000008606 0.46697 33.4311
186 3RI1 3RH 0.00000002581 0.66891 33.5463
187 3GQI ACP 0.0000000002136 0.71517 34.0491
188 2WU6 DKI 0.000000004338 0.60358 34.1207
189 2V7O DRN 0.0000001196 0.57242 34.2262
190 4XLI 1N1 0.00004447 0.50055 34.3284
191 2Y6O 1N1 0.00002435 0.47346 34.3643
192 2HK5 1BM 0.000001054 0.5816 34.4444
193 5EOB 5QQ 0.00000005557 0.69767 34.4828
194 1U5R ATP 0.00000000388 0.68026 34.4828
195 3PLS ANP 0.00000000564 0.67307 34.5638
196 5LI1 ANP 0.00000000006974 0.68622 34.7458
197 1VJY 460 0.00000002038 0.50943 34.9835
198 4BHN BH9 0.00000001438 0.61194 35.0299
199 5JKG 6LF 0.000002591 0.5951 35.0482
200 4TWP AXI 0.0000006889 0.40728 35.0554
201 5UR1 YY9 0.00001628 0.56238 35.3698
202 5FBN 5WF 0.0000001457 0.64957 35.4244
203 5LI9 ACP 0.000000005852 0.63829 35.4286
204 2WEL K88 0.00000007918 0.53789 35.474
205 1U59 STU 0.000000172 0.59447 35.5401
206 4WHZ 3NL 0.0000001833 0.40592 35.5844
207 1BYG STU 0.00000001918 0.63866 35.6115
208 4H3Q ANP 0.0000000002195 0.75495 35.6354
209 5MY8 RXZ 0.0000002339 0.52407 35.7702
210 4FG8 ATP 0.00000000006428 0.70164 35.873
211 1OUK 084 0.00008386 0.56793 36.0656
212 5MJA 7O3 0.000002016 0.5499 36.0656
213 3ZRM ZRM 0.00001357 0.52623 36.1186
214 4AT3 LTI 0.000000893 0.47192 36.1204
215 3NW7 LGV 0.0000003064 0.651 36.1564
216 2VZ6 FEF 0.00000001248 0.67803 36.4217
217 2OFV 242 0.00001401 0.55675 36.4621
218 4LOO SB4 0.00002716 0.5128 36.5651
219 4O1P ANP 0.000000000357 0.73035 36.6359
220 4I6H 1C8 0.000003203 0.53937 36.6883
221 1K3A ACP 0.00000005831 0.60756 36.7893
222 2ZV2 609 0.0000004771 0.61374 36.9128
223 4EWH T77 0.00000008544 0.52332 37.0909
224 3GC8 B45 0.000001524 0.52053 37.2973
225 1CM8 ANP 0.00000189 0.56127 37.3297
226 5H2U 1N1 0.00001195 0.51432 37.4532
227 4H3P ANP 0.000000007468 0.6715 37.5
228 4NM5 ADP 0.0000001299 0.5491 37.5
229 5X8I SQZ 0.000000005132 0.65815 37.5723
230 2X2M X2M 0.000000008746 0.67879 37.5796
231 1O9U ADZ 0.000001132 0.61249 37.7143
232 5DA3 58V 0.00000004556 0.66229 37.7358
233 3PTG 932 0.000007669 0.5043 37.741
234 4UX9 ANP 0.00000000002389 0.7171 37.9121
235 4IZY 1J2 0.000001114 0.53676 37.9404
236 1XJD STU 0.00000007658 0.59696 37.971
237 4K33 ACP 0.00000000001035 0.80332 38.1538
238 3F7Z 34O 0.0000004256 0.59324 38.2857
239 2B9F ADP 0.000000007473 0.67148 38.5269
240 2VN9 GVD 0.000000008708 0.60976 38.5382
241 3E7O 35F 0.000007723 0.42812 38.6111
242 4OAV ACP 0.000000001377 0.70019 38.7097
243 4U0I 0LI 0.0001179 0.50642 38.7302
244 3UIM ANP 0.00000007329 0.62729 38.9571
245 3HMO STU 0.0000001687 0.60773 39.1813
246 5EKO N17 0.0001181 0.49352 39.3531
247 3ALN ANP 0.000000001053 0.65321 39.4495
248 5BYZ 4WE 0.00000009772 0.49733 39.6552
249 2B9H ADP 0.000000006 0.67939 39.6601
250 2B9J ADP 0.000000006247 0.67111 39.6601
251 2B9I ADP 0.000000007558 0.6502 39.6601
252 2F57 23D 0.000002536 0.54691 39.7476
253 3TXO 07U 0.0000002387 0.59193 39.9433
254 5UOX 8GY 0.00000002309 0.5912 40.2214
255 5U6C 7YS 0.0000001464 0.55807 40.3175
256 2WEI VGG 0.000001163 0.56074 40.4181
257 5VC5 96M 0.0000001252 0.51133 40.8304
258 3GC0 AMP 0.0000009754 0.55735 41.0334
259 3H9R TAK 0.000004355 0.50539 41.5152
260 1PHK ATP 0.000000000008775 0.80654 41.6107
261 5CEO 50D 0.000000209 0.60701 41.6667
262 5USZ SKE 0.00000002962 0.53677 41.8685
263 5N87 N66 0.000000021 0.485 42.492
264 5JGA 6KC 0.00000004443 0.49022 42.5397
265 5TO8 7FM 0.000003112 0.41633 42.5532
266 5DBX ANP 0.00000005423 0.6067 42.9878
267 5KO1 6UY 0.00000003759 0.6366 43.4629
268 2A19 ANP 0.000000207 0.631 44.7183
269 3SLS ANP 0.0000000001125 0.67493 44.7368
270 3SXS PP2 0.0000007817 0.5406 45.1493
271 3SRV S19 0.000000005917 0.67215 46.2094
272 4AUA 4AU 0.000003365 0.55018 46.2541
273 4F4P 0SB 0.000002145 0.62296 46.8864
274 4D2S DYK 0.0000003296 0.61202 47.1831
275 1ZY5 ANP 0.00001914 0.51675 47.1947
276 4CSV STI 0.000481 0.41778 47.2727
277 1V0O INR 0.000000001818 0.65928 47.5694
278 4AU8 Z3R 0.000001049 0.59744 47.6351
279 5HQ0 LZ9 0.000000007337 0.62101 47.6821
280 1UNH IXM 0.0000000211 0.62184 48.2877
281 3O0G 3O0 0.00000008937 0.61995 48.2877
282 4QMN DB8 0.000004517 0.43046 48.7097
Pocket No.: 2; Query (leader) PDB : 2RIO; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2rio.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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