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Receptor
PDB id Resolution Class Description Source Keywords
4PX9 2.31 Å EC: 3.6.4.13 DEAD-BOX RNA HELICASE DDX3X DOMAIN 1 WITH N-TERMINAL ATP-BIN HOMO SAPIENS DEAD-BOX HELICASE HYDROLASE TRANSLATION RNA BINDING PROTE
Ref.: CANCER-ASSOCIATED MUTANTS OF RNA HELICASE DDX3X ARE DEFECTIVE IN RNA-STIMULATED ATP HYDROLYSIS. J.MOL.BIOL. V. 427 1779 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP C:501;
A:601;
B:501;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PX9 2.31 Å EC: 3.6.4.13 DEAD-BOX RNA HELICASE DDX3X DOMAIN 1 WITH N-TERMINAL ATP-BIN HOMO SAPIENS DEAD-BOX HELICASE HYDROLASE TRANSLATION RNA BINDING PROTE
Ref.: CANCER-ASSOCIATED MUTANTS OF RNA HELICASE DDX3X ARE DEFECTIVE IN RNA-STIMULATED ATP HYDROLYSIS. J.MOL.BIOL. V. 427 1779 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 4PX9 - 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 11 families.
1 4PX9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 4PX9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 5E7J - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 5E7M - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
4 2I4I - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 452
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 5FA 0.887324 1
6 AQP 0.887324 1
7 AP5 0.884058 0.971831
8 B4P 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 SAP 0.8 0.945946
22 AGS 0.8 0.945946
23 AD9 0.8 0.972222
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 ABM 0.763889 0.917808
30 APC 0.763158 0.958904
31 PRX 0.763158 0.893333
32 ATF 0.759494 0.958904
33 A22 0.753086 0.985915
34 AP2 0.743243 0.958904
35 A12 0.743243 0.958904
36 SRA 0.736111 0.918919
37 ADQ 0.73494 0.945205
38 25L 0.732558 0.985915
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 A3R 0.714286 0.907895
44 ATR 0.708861 0.971429
45 ADP PO3 0.708861 0.943662
46 PAP 0.708861 0.985714
47 SRP 0.707317 0.906667
48 7D3 0.706667 0.905405
49 25A 0.702381 0.971831
50 9X8 0.697674 0.92
51 OAD 0.697674 0.945205
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.883117
55 OOB 0.682353 0.931507
56 5SV 0.682353 0.848101
57 8QN 0.682353 0.931507
58 3OD 0.681818 0.945205
59 BIS 0.681818 0.933333
60 ALF ADP 0.674699 0.87013
61 ADP ALF 0.674699 0.87013
62 AMO 0.674419 0.932432
63 4AD 0.674419 0.92
64 PAJ 0.674419 0.884615
65 GAP 0.670732 0.893333
66 MAP 0.670588 0.945946
67 AHX 0.666667 0.896104
68 VO4 ADP 0.666667 0.931507
69 DLL 0.666667 0.931507
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 LMS 0.653333 0.82716
75 LAD 0.651685 0.860759
76 WAQ 0.651685 0.883117
77 B5V 0.651685 0.906667
78 PR8 0.651685 0.85
79 ITT 0.65 0.943662
80 7D4 0.65 0.905405
81 G5P 0.648936 0.921053
82 XYA 0.647059 0.84507
83 ADN 0.647059 0.84507
84 RAB 0.647059 0.84507
85 1ZZ 0.644444 0.839506
86 ME8 0.644444 0.839506
87 FYA 0.644444 0.905405
88 NB8 0.644444 0.896104
89 TXA 0.644444 0.932432
90 6AD 0.642857 0.909091
91 ADP BMA 0.640449 0.918919
92 G3A 0.638298 0.921053
93 DAL AMP 0.632184 0.905405
94 AFH 0.631579 0.884615
95 9SN 0.630435 0.871795
96 9ZA 0.625 0.907895
97 DQV 0.625 0.958333
98 9ZD 0.625 0.907895
99 GTA 0.625 0.886076
100 YAP 0.623656 0.894737
101 B5M 0.623656 0.894737
102 FA5 0.623656 0.906667
103 B5Y 0.623656 0.894737
104 UP5 0.622449 0.92
105 HFD 0.619048 0.945946
106 XAH 0.617021 0.839506
107 AV2 0.616279 0.917808
108 AOC 0.615385 0.821918
109 48N 0.612245 0.896104
110 4UV 0.610526 0.894737
111 6V0 0.606061 0.896104
112 NAI 0.606061 0.907895
113 DND 0.606061 0.932432
114 NAX 0.606061 0.873418
115 NXX 0.606061 0.932432
116 TXD 0.606061 0.907895
117 5N5 0.605634 0.819444
118 5AS 0.604938 0.77907
119 A4P 0.60396 0.843373
120 DAT 0.60241 0.905405
121 A2R 0.602273 0.985915
122 TXE 0.6 0.907895
123 OMR 0.6 0.851852
124 4UU 0.597938 0.894737
125 GA7 0.597938 0.906667
126 A A 0.597826 0.944444
127 A4D 0.597222 0.819444
128 5CD 0.597222 0.805556
129 AP0 0.594059 0.896104
130 4TC 0.594059 0.896104
131 A3P 0.592593 0.971429
132 T5A 0.592233 0.841463
133 139 0.592233 0.873418
134 7D5 0.592105 0.878378
135 ATP A A A 0.589474 0.930556
136 LAQ 0.585859 0.839506
137 MYR AMP 0.585106 0.817073
138 F2R 0.580952 0.864198
139 YLP 0.58 0.819277
140 UPA 0.578431 0.907895
141 7DD 0.578313 0.985714
142 3AM 0.576923 0.929577
143 ADJ 0.576923 0.851852
144 COD 0.575472 0.811765
145 NAD 0.575472 0.931507
146 3AT 0.574713 0.971831
147 JB6 0.574468 0.883117
148 4UW 0.574257 0.860759
149 EP4 0.573333 0.753247
150 A2P 0.573171 0.957143
151 CNA 0.571429 0.932432
152 TYM 0.568627 0.906667
153 PPS 0.568182 0.873418
154 DTA 0.565789 0.786667
155 M2T 0.565789 0.734177
156 AR6 AR6 0.565657 0.917808
157 A3D 0.564815 0.918919
158 80F 0.564815 0.841463
159 3DH 0.564103 0.773333
160 G5A 0.563218 0.77907
161 YLB 0.563107 0.819277
162 YLC 0.563107 0.839506
163 AMP DBH 0.561224 0.893333
164 TYR AMP 0.561224 0.87013
165 MTA 0.558442 0.773333
166 DTP 0.556818 0.905405
167 AHZ 0.554455 0.817073
168 NA7 0.553191 0.958904
169 IOT 0.552381 0.831325
170 ZAS 0.55 0.766234
171 7MD 0.55 0.8625
172 ARG AMP 0.55 0.829268
173 IMO 0.548781 0.929577
174 YLA 0.54717 0.819277
175 NAE 0.544643 0.894737
176 TAD 0.544554 0.884615
177 A5A 0.544444 0.807229
178 2AM 0.544304 0.943662
179 TSB 0.543478 0.819277
180 6RE 0.54321 0.759494
181 AYB 0.542056 0.809524
182 NAQ 0.539823 0.871795
183 V3L 0.539326 0.971831
184 SSA 0.538462 0.8
185 AF3 ADP 3PG 0.538462 0.8375
186 ZID 0.535088 0.918919
187 LPA AMP 0.533981 0.817073
188 52H 0.532609 0.77907
189 VMS 0.532609 0.788235
190 54H 0.532609 0.788235
191 BTX 0.53211 0.841463
192 A3N 0.53012 0.786667
193 J7C 0.53012 0.769231
194 5X8 0.528736 0.763158
195 BT5 0.527273 0.831325
196 8X1 0.526882 0.752809
197 5CA 0.526882 0.8
198 53H 0.526882 0.77907
199 ARU 0.526316 0.860759
200 EAD 0.525862 0.873418
201 RGT 0.525253 0.958904
202 OVE 0.52439 0.905405
203 S4M 0.52381 0.666667
204 7DT 0.522727 0.985714
205 GDP 0.522222 0.92
206 DDS 0.522222 0.878378
207 AVV 0.521277 0.896104
208 NDE 0.521008 0.932432
209 7MC 0.518868 0.841463
210 DSH 0.518072 0.725
211 MAO 0.517647 0.759036
212 NSS 0.515789 0.8
213 DSZ 0.515789 0.8
214 LSS 0.515789 0.761364
215 P5A 0.515464 0.744444
216 DZD 0.513514 0.884615
217 NVA LMS 0.510417 0.752809
218 9K8 0.510204 0.714286
219 12D 0.509615 0.785714
220 M24 0.508772 0.85
221 YLY 0.508772 0.809524
222 P1H 0.508333 0.851852
223 5AD 0.506849 0.746479
224 GJV 0.505882 0.75
225 LEU LMS 0.505155 0.752809
226 AMP NAD 0.504505 0.905405
227 4TA 0.504505 0.807229
228 G A A A 0.504505 0.871795
229 NAJ PZO 0.504425 0.848101
230 GSU 0.5 0.77907
231 128 0.5 0.776471
232 KAA 0.5 0.752809
233 71V 0.5 0.907895
234 A3G 0.5 0.8
235 NDC 0.5 0.871795
236 7D7 0.5 0.743243
237 N0B 0.495726 0.819277
238 NJP 0.495495 0.945946
239 ODP 0.495495 0.909091
240 2SA 0.494624 0.932432
241 6C6 0.494505 0.881579
242 SFG 0.494382 0.75
243 0WD 0.491071 0.921053
244 YSA 0.490196 0.77907
245 PO4 PO4 A A A A PO4 0.489796 0.902778
246 SAM 0.48913 0.690476
247 6IA 0.48913 0.8375
248 A7D 0.488636 0.776316
249 6FA 0.488 0.841463
250 FB0 0.487805 0.804598
251 NAJ PYZ 0.487179 0.807229
252 A5D 0.483516 0.786667
253 IDP 0.483516 0.918919
254 SA8 0.483516 0.707317
255 PGS 0.483146 0.883117
256 MHZ 0.483146 0.697674
257 DA 0.482353 0.878378
258 D5M 0.482353 0.878378
259 NEC 0.482353 0.746667
260 NIA 0.481928 0.822785
261 Y3J 0.480519 0.726027
262 8PZ 0.480392 0.8
263 FAD 0.480315 0.851852
264 FAS 0.480315 0.851852
265 FDA 0.48 0.833333
266 N6P 0.479592 0.915493
267 GGZ 0.479167 0.825
268 U A 0.478261 0.907895
269 SAH 0.478261 0.74359
270 SAI 0.478261 0.734177
271 A G 0.477876 0.883117
272 NPW 0.477477 0.886076
273 NDP 0.477477 0.921053
274 AAM 0.476744 0.971429
275 C2R 0.47561 0.90411
276 AMZ 0.47561 0.916667
277 A A A 0.474747 0.905405
278 GTP 0.473684 0.92
279 U A G G 0.473684 0.883117
280 SMM 0.473684 0.686047
281 NZQ 0.473214 0.909091
282 TXP 0.473214 0.921053
283 A3S 0.47191 0.810811
284 SFD 0.46875 0.734043
285 AIR 0.468354 0.901408
286 AAT 0.468085 0.707317
287 EEM 0.468085 0.690476
288 J7V 0.466667 0.833333
289 Z5A 0.466667 0.77907
290 7C5 0.466667 0.818182
291 62F 0.465649 0.8625
292 HDV 0.463158 0.893333
293 FAY 0.462121 0.8625
294 A3T 0.461538 0.821918
295 ETB 0.461538 0.833333
296 DCA 0.461538 0.823529
297 A6D 0.46 0.722892
298 A U 0.459459 0.87013
299 GEK 0.459184 0.7375
300 6K6 0.459184 0.930556
301 RFL 0.458647 0.821429
302 NAP 0.458333 0.945205
303 S7M 0.458333 0.690476
304 4YB 0.457944 0.761364
305 WSA 0.454545 0.788235
306 TAP 0.454545 0.907895
307 FNK 0.454545 0.804598
308 COA 0.453782 0.823529
309 0T1 0.453782 0.823529
310 101 0.453488 0.878378
311 XNP 0.452174 0.873418
312 NA0 0.45082 0.932432
313 7RP 0.448276 0.928571
314 GP3 0.446809 0.921053
315 TM1 0.446602 0.77381
316 APU 0.446429 0.894737
317 PUA 0.445378 0.884615
318 V1N 0.443396 0.917808
319 7RA 0.443182 0.957747
320 COS 0.442623 0.804598
321 AMX 0.442623 0.833333
322 30N 0.442623 0.752688
323 CAO 0.442623 0.795455
324 QQY 0.44186 0.815789
325 ACK 0.44186 0.861111
326 649 0.441441 0.744444
327 0UM 0.44 0.698795
328 NHD 0.439655 0.905405
329 CMX 0.439024 0.823529
330 SCO 0.439024 0.823529
331 GCP 0.438776 0.896104
332 8BR 0.438202 0.906667
333 GNH 0.4375 0.907895
334 8Q2 0.4375 0.772727
335 3AD 0.4375 0.805556
336 NVA 2AD 0.43617 0.759494
337 62X 0.435644 0.666667
338 FCX 0.435484 0.795455
339 ACO 0.435484 0.795455
340 FAM 0.435484 0.804598
341 9JJ 0.434783 0.8625
342 GNP 0.434343 0.896104
343 9GM 0.434343 0.896104
344 NMX 0.433071 0.76087
345 MGP 0.43299 0.884615
346 26A 0.432099 0.763158
347 HAX 0.432 0.804598
348 K15 0.431373 0.682353
349 DG1 0.430894 0.921053
350 1DG 0.430894 0.921053
351 QQX 0.430233 0.805195
352 2VA 0.430108 0.8
353 S8M 0.43 0.759494
354 2MC 0.429688 0.769231
355 6G0 0.428571 0.884615
356 P5F 0.428571 0.823529
357 FYN 0.428571 0.823529
358 3KK 0.428571 0.804598
359 A C A C 0.428571 0.848101
360 7L1 0.427419 0.795455
361 FAI 0.426966 0.916667
362 RMB 0.426966 0.873239
363 AS 0.426966 0.833333
364 1RB 0.425287 0.885714
365 CA6 0.425197 0.729167
366 SOP 0.425197 0.804598
367 OXK 0.425197 0.804598
368 MCD 0.425197 0.804598
369 COK 0.425197 0.804598
370 G1R 0.424242 0.907895
371 SXZ 0.423077 0.710843
372 CC5 0.423077 0.816901
373 F2N 0.422535 0.813953
374 EO7 0.422222 0.788235
375 ANZ 0.422018 0.8
376 1VU 0.421875 0.795455
377 CMC 0.421875 0.804598
378 CO6 0.421875 0.804598
379 ZDA 0.421053 0.864865
380 GKE 0.420561 0.884615
381 GDC 0.420561 0.884615
382 GDD 0.420561 0.884615
383 NFD 0.420168 0.883117
384 GSP 0.42 0.873418
385 D3Y 0.42 0.789474
386 MC4 0.419847 0.76087
387 3D1 0.419753 0.773333
388 3L1 0.419753 0.773333
389 FA9 0.41958 0.864198
390 5GP 0.419355 0.906667
391 G 0.419355 0.906667
392 KB1 0.419048 0.698795
393 CAJ 0.418605 0.804598
394 SCD 0.418605 0.823529
395 CMP 0.417582 0.901408
396 2BA 0.417582 0.915493
397 SO8 0.416667 0.789474
398 VRT 0.416667 0.769231
399 N01 0.416667 0.905405
400 IVC 0.415385 0.813953
401 1HE 0.415385 0.786517
402 A1S 0.415385 0.804598
403 BCO 0.415385 0.804598
404 3HC 0.415385 0.813953
405 MLC 0.415385 0.804598
406 NMN AMP PO4 0.415254 0.87013
407 2FA 0.414634 0.813333
408 MGO 0.414141 0.860759
409 3NZ 0.413462 0.782051
410 COO 0.412214 0.804598
411 MCA 0.412214 0.795455
412 YE1 0.412214 0.813953
413 CAA 0.412214 0.813953
414 GAV 0.411765 0.884615
415 PRT 0.411215 0.931507
416 JLN 0.411111 0.890411
417 P2P 0.411111 0.902778
418 ZZB 0.410256 0.77381
419 SP1 0.409091 0.842105
420 RP1 0.409091 0.842105
421 2CP 0.409091 0.795455
422 SCA 0.409091 0.804598
423 103 0.409091 0.837838
424 PAX 0.408 0.829268
425 FAD NBT 0.407143 0.75
426 COW 0.406015 0.795455
427 3CP 0.406015 0.804598
428 IRC 0.406015 0.813953
429 BYC 0.406015 0.804598
430 CA8 0.406015 0.729167
431 1GZ 0.406015 0.795455
432 COF 0.406015 0.786517
433 HGG 0.406015 0.804598
434 2KQ 0.406015 0.786517
435 G2P 0.405941 0.884615
436 SLU 0.404959 0.770115
437 U A C C 0.404959 0.858974
438 RBZ 0.404494 0.849315
439 1CZ 0.404412 0.795455
440 FAQ 0.402985 0.804598
441 BCA 0.402985 0.795455
442 4CA 0.402985 0.795455
443 MTP 0.402439 0.730769
444 8OD 0.402062 0.945205
445 CO7 0.401515 0.804598
446 GRA 0.4 0.804598
447 G2R 0.4 0.884615
448 ENQ 0.4 0.916667
449 CNV FAD 0.4 0.8
450 GMV 0.4 0.896104
451 HXC 0.4 0.786517
452 HF7 0.4 0.893333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PX9; Ligand: ADP; Similar sites found with APoc: 699
This union binding pocket(no: 1) in the query (biounit: 4px9.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2O66 FLC None
2 4GOX A3P 1.0274
3 4RZ3 ADP 1.36986
4 1VG1 GDP 1.62162
5 4LPS GDP 1.65289
6 3MD0 GDP 1.71233
7 1G3M A3P 1.71233
8 1G3M PCQ 1.71233
9 1ZCB GDP 1.71233
10 4BFW ZVW 1.71233
11 1XP8 AGS 1.71233
12 4UP3 FAD 1.71233
13 5LLB 6YZ 1.90114
14 4NON GDP 1.92308
15 4E03 ADP 1.94175
16 1UKZ ADP 1.97044
17 1VG9 GDP 2.05479
18 2OM2 GDP 2.05479
19 1X6V ADP 2.05479
20 1GP2 GDP 2.05479
21 4RD0 GDP 2.16867
22 1M7B GTP 2.17391
23 2V2V V12 2.21402
24 1AKY AP5 2.27273
25 2VZZ SCA 2.29358
26 3KJI ADP 2.3622
27 2ZTS ADP 2.39044
28 5L3W GDP 2.39726
29 2IS6 ADP 2.39726
30 4P4T GDP 2.39726
31 4BAS GNP 2.39726
32 2ZJ5 ADP 2.39726
33 1G41 ADP 2.39726
34 5K5Z ANP 2.39726
35 4LC1 GDP 2.39726
36 5M7P ADP 2.39726
37 1IWE IMP 2.39726
38 6G14 G4P 2.39726
39 4FCW ADP 2.39726
40 1W5T ANP 2.39726
41 2GWH A3P 2.39726
42 4LJ9 ACP 2.39726
43 1W5T ADP 2.39726
44 2F3R G5P 2.39726
45 1HSK FAD 2.39726
46 2QEN ADP 2.57143
47 1T8U A3P 2.57353
48 1T8U UAP SGN IDS SGN 2.57353
49 2X77 GDP 2.6455
50 2CHG ANP 2.65487
51 2ZPT A3P 2.71186
52 3AQ4 GDP 2.71739
53 4UXH T5A 2.71739
54 2BEK ATP 2.72374
55 2ZFI ADP 2.73224
56 2RCN GDP 2.73973
57 5AK0 8V1 2.73973
58 1OS1 ATP 2.73973
59 1OS1 PYR 2.73973
60 1LVK MNT BEF 2.73973
61 1T5C ADP 2.73973
62 1P72 ADP 2.73973
63 1DAR GDP 2.73973
64 1RRC ADP 2.73973
65 1J99 AND 2.73973
66 5X40 ACP 2.73973
67 2Z5F A3P 2.73973
68 5Z69 AGS 2.73973
69 2ZPA ADP 2.73973
70 2Z49 AMG 2.73973
71 1FNN ADP 2.73973
72 1IN4 ADP 2.73973
73 1MR3 G3D 2.76243
74 4YLG GDP 2.89017
75 3KTA AP5 2.89017
76 1XEX ATP 2.90698
77 3BFV ADP 2.95203
78 4JLV ADP 2.97398
79 1Z2A GDP 2.97619
80 3UIE ANP 3
81 1O3Y GTP 3.01205
82 1J2J GTP 3.01205
83 3WIS FMN 3.01508
84 1RE0 GDP 3.04878
85 1Z83 AP5 3.06122
86 5HCN GCP 3.06513
87 3PQC GDP 3.07692
88 2VVG ADP 3.08219
89 3DC4 ADP 3.08219
90 2Q2Y MKR 3.08219
91 2Q2Y ADP 3.08219
92 2WOJ ADP ALF 3.08219
93 3ZS9 ADP ALF 3.08219
94 1E2K TMC 3.08219
95 1V8K ANP 3.08219
96 4NE2 ADP 3.08219
97 4NE2 SH2 3.08219
98 5H68 AGS 3.08219
99 2CE7 ADP 3.08219
100 2ZR9 DTP 3.08219
101 1QHG ATP 3.08219
102 3IO3 ADP 3.08219
103 2JJK R15 3.08219
104 2FAH GDP 3.08219
105 3ZS7 ATP 3.08219
106 5MVR ADP 3.08642
107 1QSR ACO 3.08642
108 4WOP CTP 3.11111
109 1FP6 ADP 3.11419
110 3H86 AP5 3.125
111 5H4S RAM 3.16901
112 4GOJ GNP 3.1746
113 4D0N GDP 3.24324
114 3LXR GDP 3.24324
115 1NN5 ANP 3.25581
116 1NN5 2DT 3.25581
117 1KMQ GNP 3.26087
118 1KY3 GDP 3.2967
119 3FYH ADP 3.41615
120 1GOJ ADP 3.42466
121 6A20 ADP 3.42466
122 4AG5 ADP 3.42466
123 2FSH ANP 3.42466
124 4PJ3 ANP 3.42466
125 2DPY ADP 3.42466
126 4KVA GTP 3.42466
127 4ZKD GDP 3.42466
128 4B47 GDP 3.42466
129 1R6B ADP 3.42466
130 2XTZ GSP 3.42466
131 3ZFD ANP 3.42466
132 5ZBR ANP 3.42466
133 3QF7 ANP 3.42466
134 5MEX PAP 3.42466
135 5H7J GCP 3.42466
136 1IHU AF3 3.42466
137 2BVN GNP 3.42466
138 1IHU ADP 3.42466
139 2QZ4 ADP 3.43511
140 5BYK A3P 3.4749
141 5BYK OAQ 3.4749
142 5HH0 COA 3.5
143 1G6H ADP 3.50195
144 4QM7 GTP 3.50877
145 1F6B GDP 3.53535
146 1PUJ GNP 3.5461
147 2D2F ADP 3.6
148 2CJW GDP 3.64583
149 4XSH GSP 3.65297
150 1XX6 ADP 3.66492
151 1M2O GNP 3.68421
152 5KSP GDP 3.68421
153 3N5C GDP 3.7037
154 1Z06 GNP 3.7037
155 1U0J ADP 3.74532
156 4TMK T5A 3.75587
157 5L3V GDP 3.76712
158 6DEF GCP 3.76712
159 1F9V ADP 3.76712
160 1YTM ATP 3.76712
161 4NCN GTP 3.76712
162 1SVK ALF GDP 3.76712
163 4TMZ GSP 3.76712
164 1Y3A GDP 3.76712
165 6CRK GDP 3.76712
166 1P9B GDP 3.76712
167 1BH2 GSP 3.76712
168 5XDR ADP 3.76712
169 5W75 GDP 3.76712
170 3QVV A3P 3.76712
171 3QVV 3QV 3.76712
172 5L3S GNP 3.76712
173 1XMV ADP 3.76712
174 4UTG ANP 3.76712
175 5THZ SAH 3.76712
176 1VG8 GNP 3.86473
177 1VG0 GDP 3.86473
178 2IYL GDP 3.87324
179 3A1S GDP 3.87597
180 2HCJ GDP 3.8806
181 1JJV ATP 3.8835
182 5O74 GDP 3.88889
183 2JAQ DCP 3.90244
184 2Y8E GNP 3.91061
185 1GHE ACO 3.9548
186 1W7J ADP BEF 3.97351
187 1KO8 6PG 4
188 1ZRH A3P 4.0146
189 2QG6 NMN 4.0201
190 2HT6 GDP 4.02299
191 5G41 AP5 4.03587
192 5I0H ADP BEF 4.04858
193 2FFQ GSP 4.09357
194 1RJ9 GCP 4.10959
195 4YS0 ADP 4.10959
196 3E70 GDP 4.10959
197 5N69 ADP 4.10959
198 1QF5 RPL 4.10959
199 1QF5 GDP 4.10959
200 4IHQ ADP 4.10959
201 5KSZ GCP 4.10959
202 5I34 GDP 4.10959
203 1YZQ GNP 4.11765
204 2Q4V ACO 4.11765
205 1S3G AP5 4.14747
206 3FB4 AP5 4.16667
207 2GDJ ANP 4.16667
208 3Q72 GNP 4.21687
209 1YZN GNP 4.32432
210 5TIV A3P 4.34783
211 1BG2 ADP 4.45205
212 2Y65 ADP 4.45205
213 4PPF FLC 4.45205
214 1D8T GDP 4.45205
215 5JBQ GDP 4.45205
216 4G5G GDP 4.45205
217 2BIF ANP 4.45205
218 2BIF SIN 4.45205
219 3U6B GDP 4.45205
220 3T34 GDP 4.45205
221 2OZE AGS 4.45205
222 2OBM ADP 4.45205
223 5W7Q GDP 4.45205
224 1SKQ GDP 4.45205
225 5W76 GDP 4.45205
226 2GK6 ADP 4.45205
227 1OW3 GDP 4.45205
228 3U6K GDP 4.45205
229 4P3Y GDP 4.45205
230 4IEE AGS 4.45205
231 4PC3 GDP 4.45205
232 1H74 ADP 4.45205
233 1Z0F GDP 4.46927
234 3AB3 GDP 4.47154
235 2B8T THM 4.4843
236 3AB4 THR 4.49438
237 3QXC ATP 4.54545
238 5Z2M GTP 4.54545
239 5SZH GNP 4.57516
240 6EDV COA 4.63918
241 4K81 GTP 4.67836
242 1G16 GDP 4.70588
243 2NGR GDP 4.71204
244 1A4R GNH 4.71204
245 4ITR GDP 4.71204
246 1A4R GDP 4.71204
247 2WMO GTP 4.73684
248 5E95 GDP 4.7619
249 5OCG GNP 4.7619
250 5ZXD ATP 4.7619
251 6D5L GNP 4.79042
252 6D56 GNP 4.79042
253 6D5G GNP 4.79042
254 6BVK GNP 4.79042
255 6D5J GNP 4.79042
256 6BVM GNP 4.79042
257 6D59 GNP 4.79042
258 6BVI GNP 4.79042
259 6D55 GNP 4.79042
260 6BVJ GNP 4.79042
261 6D5E GNP 4.79042
262 6D5M GNP 4.79042
263 6BVL GNP 4.79042
264 6D5H GNP 4.79042
265 6D5V GNP 4.79042
266 1YQT ADP 4.79452
267 5FHD ADP ALF 4.79452
268 2NCD ADP 4.79452
269 3HU3 AGS 4.79452
270 1SVM ATP 4.79452
271 3CX8 GSP 4.79452
272 5WRJ A3P 4.79452
273 4OHY ANP 4.79452
274 6BCB GSP 4.79452
275 3EC1 GDP 4.79452
276 5FTB ANP 4.79452
277 4OI4 ATP 4.79452
278 5H7K GDP 4.79452
279 4XGU ADP 4.79452
280 1CLU DBG 4.81928
281 1NVV GNP 4.81928
282 3DDC GNP 4.81928
283 1WQ1 GDP 4.81928
284 5UIV ADP 4.84582
285 3KUD GDP 4.93827
286 4D81 ADP 4.947
287 2EFE GNH 4.97238
288 4YC7 GNP 4.97238
289 3IIJ ADP 5
290 5IFS ADP 5.06329
291 5EP2 AZU 5.07812
292 5U32 GDP 5.08475
293 4ZNL BEF ADP 5.10949
294 3P4X ADP 5.13699
295 5CK5 GDP 5.13699
296 4ZG4 VO4 ADP 5.13699
297 1F5N GNP 5.13699
298 2B8W ALF 5GP 5.13699
299 5MZN ADP 5.13699
300 4ITM ATP 5.13699
301 5JCP GDP ALF 5.13699
302 2AJ4 ANP 5.13699
303 1H65 GDP 5.18518
304 6FA4 GNP 5.20231
305 1OE0 TTP 5.21739
306 2UZI GTP 5.26316
307 1UPT GTP 5.26316
308 4ZI2 GNP 5.26316
309 2OFW ADX 5.28846
310 5KUT GDP 5.29101
311 6BCA GSP 5.29801
312 5O2T GSP 5.32544
313 3CNL GNP 5.34351
314 2A9K GDP 5.34759
315 2J59 GTP 5.35714
316 1JJ7 ADP 5.38462
317 2QQ0 ANP 5.43478
318 2QQ0 TMP 5.43478
319 2QQ0 ADP 5.43478
320 2QQ0 THM 5.43478
321 2KIN ADP 5.46218
322 3CPJ GDP 5.47945
323 3ZQ6 ADP ALF 5.47945
324 5LTJ ADP 5.47945
325 6AU6 GDP 5.47945
326 1FQJ GDP 5.47945
327 1FQK GDP 5.47945
328 1CS4 GSP 5.47945
329 1TAD GDP 5.47945
330 1TAD ALF 5.47945
331 3FVQ ATP 5.47945
332 5WC2 ADP 5.47945
333 2GMV UN8 5.47945
334 2GMV PEP 5.47945
335 2RGX AP5 5.47945
336 1NHX FTB 5.47945
337 1NHX PEP 5.47945
338 2BCG GDP 5.47945
339 4H1V GNP 5.47945
340 4YJ1 ADP 5.47945
341 1T36 ADP 5.47945
342 1VHT BA3 5.50459
343 4XVU ATP 5.52995
344 5ZB0 TYD 5.55556
345 5ZB0 ADP 5.55556
346 3TE4 ACO 5.5814
347 3E5H GNP 5.61798
348 5XC5 GTP 5.68182
349 4BQS ADP 5.68182
350 4BQS K2Q 5.68182
351 3FWY ADP 5.73248
352 1ION ADP 5.76132
353 3Q9L ATP 5.76923
354 2GJ8 ALF GDP 5.81395
355 5M04 GDP 5.82192
356 2GKS ADP 5.82192
357 1WDT GTP 5.82192
358 5J1J ANP 5.82192
359 4KQW NAP 5.82192
360 1MI3 NAD 5.82192
361 5WDR GNP 5.84795
362 1Z0J GTP 5.88235
363 2IXE ATP 5.90406
364 4HI0 GDP 5.90551
365 1G3Q ADP 5.90717
366 1S9D GDP 5.91133
367 1YVD GNP 5.91716
368 2FH5 GTP 5.94595
369 1U8Z GDP 5.95238
370 1UJ2 ADP 5.95238
371 1UJ2 C5P 5.95238
372 1KAO GDP 5.98802
373 6B8B ADP 6.0241
374 3T1O GDP 6.06061
375 1TX4 ALF GDP 6.06061
376 2PEZ DAT 6.14525
377 2PEZ GGZ 6.14525
378 5GOE GDP 6.16438
379 3PCR GTP 6.16438
380 5HR5 ADP 6.16438
381 1KK1 GNP 6.16438
382 4GBM A3P 6.16438
383 1G6O ADP 6.16438
384 3FKQ ATP 6.16438
385 6BSX E7S 6.17978
386 6BSX GDP 6.17978
387 4U5X GNP 6.17978
388 1QF9 C5P 6.18557
389 1QF9 ADP 6.18557
390 1QF9 ALF 6.18557
391 3QKT ANP 6.19469
392 3BOS CDP 6.19835
393 1JI0 ATP 6.25
394 4R57 ACO 6.25
395 4HSE ADP 6.29723
396 4TL6 ANP 6.32411
397 3GJ8 GDP 6.33484
398 3GJ0 GDP 6.33484
399 3GJ3 GDP 6.33484
400 3GJ5 GDP 6.33484
401 3W5J GDP 6.37255
402 2WJG GDP 6.38298
403 1GRN GDP 6.40394
404 1B7T ADP 6.41026
405 4EN4 GT1 6.41026
406 4EN4 GT0 6.41026
407 4EN4 ATP 6.41026
408 3OU2 SAH 6.42202
409 5IRC GDP 6.46766
410 1IBR GNP 6.48148
411 3GJX GTP 6.48148
412 5BXQ GDP 6.48148
413 3CH5 GDP 6.48148
414 5DI3 GNP 6.48649
415 3DEF GDP 6.48855
416 1OYY AGS 6.50685
417 5TSH ADP 6.50685
418 3TK1 GDP 6.50685
419 5TSH ANP 6.50685
420 3WYA GDP 6.50685
421 3NHB ADP 6.50685
422 5YT0 GDP 6.50685
423 3WY9 GDP 6.50685
424 5FG3 GDP 6.50685
425 5YV5 ADP 6.50685
426 5WRI A3P 6.50685
427 3EWA ANP 6.50685
428 4R43 GDP 6.50685
429 3WXM GTP 6.50685
430 2O0J ADP 6.50685
431 3MGB PAP 6.50685
432 1AQU A3P 6.50685
433 3ITJ FAD 6.50685
434 4LHW GNP 6.50685
435 2FNA ADP 6.50685
436 2E7Z MGD 6.50685
437 4M9Q GNP 6.60793
438 4V03 ADP 6.61479
439 3T12 GDP ALF 6.61765
440 1FZQ GDP 6.62983
441 3DOE GTP 6.66667
442 1VKJ A3P 6.66667
443 4UA3 COA 6.70103
444 3BD9 A3P 6.78571
445 1L2T ATP 6.80851
446 2XAU ADP 6.84932
447 4J0Q GDP 6.84932
448 2C78 GNP 6.84932
449 1G7S GDP 6.84932
450 3VMF GTP 6.84932
451 1Z6T ADP 6.84932
452 2C9O ADP 6.84932
453 2C77 GNP 6.84932
454 3VC1 SAH 6.84932
455 3VX3 ADP 6.85484
456 1NRJ GTP 6.96203
457 1UAD GNP 7.07071
458 2ODE ALF GDP 7.0922
459 5OEC GDP 7.10383
460 3GJ7 GDP 7.14286
461 5H86 BCO 7.14286
462 4QOS ADP 7.16981
463 1GUA GNP 7.18563
464 4HDQ GNP 7.18563
465 4HDO GNP 7.18563
466 3X1Z GNP 7.18563
467 4WZA ACP 7.19178
468 4WZA ADP 7.19178
469 1NF3 GNP 7.19178
470 1XKV ATP 7.19178
471 5GXU FAD 7.19178
472 1KK8 BEF ADP 7.19424
473 2WJH GDP 7.22892
474 2WJH FLC 7.22892
475 1KSH GDP 7.23684
476 3T5G GDP 7.23684
477 5TB5 GDP 7.33333
478 4DKX GDP 7.40741
479 1D5C GDP 7.40741
480 5TAR GDP 7.43243
481 4KAX GTP 7.45342
482 5YGE GLU 7.47126
483 5YGE ACO 7.47126
484 2WIC GNP 7.49064
485 5BN3 ADP 7.53425
486 4LYA ATP 7.53425
487 4DCT GDP 7.53425
488 2G77 GDP 7.53425
489 2ZX2 RAM 7.53425
490 1WWZ ACO 7.54717
491 2YOH WMJ 7.61905
492 3A4M ADP 7.69231
493 1GXU 2HP 7.69231
494 4V0K GDP 7.69231
495 2C5L GTP 7.69231
496 3SFV GDP 7.73481
497 5VGR GDP 7.87671
498 3TKL GTP 7.87671
499 4YMU ATP 7.91667
500 5BQ5 ADP BEF 7.93651
501 2CBZ ATP 8.01688
502 2J0V GDP 8.01887
503 3SBD GNP 8.02139
504 2XTN GTP 8.11966
505 5HPY GDP 8.18966
506 5LB3 ADP 8.21918
507 3LRE ADP 8.21918
508 6FAA ADP 8.21918
509 4IDN GNP 8.21918
510 1CR1 TTP 8.21918
511 1SQ5 ADP 8.21918
512 1Z08 GNP 8.23529
513 2ZE7 DST 8.3004
514 2ZE7 AMP 8.3004
515 4YDS ATP 8.33333
516 1ZJ6 G3D 8.55615
517 1WF3 GNP 8.56164
518 4IOK XPO 8.56164
519 4IOK ADP 8.56164
520 3NKV GNP 8.57143
521 4QRH 0O2 8.57143
522 2W2X GSP 8.64865
523 4D0G GTP 8.69565
524 5H67 ATP 8.75
525 4CVN ADP 8.75912
526 5EE5 GTP 8.77193
527 2A5F GTP 8.80829
528 3RAB GNP 8.87574
529 3BFX A3P 8.90411
530 2W58 ADP 8.91089
531 1YZG GDP 8.93855
532 1X1R GDP 8.98876
533 1R4A GNP 9.09091
534 3GJ4 GDP 9.09091
535 1YRB GDP 9.16031
536 3RWO GDP 9.18919
537 1D2E GDP 9.24658
538 1NST A3P 9.24658
539 1DAK DPU 9.375
540 1DAK ADP 9.375
541 2GCN GDP 9.45274
542 2CDN ADP 9.45274
543 2GCO GNP 9.45274
544 2EW1 GNP 9.45274
545 2OG2 MLI 9.58904
546 3H4S ADP 9.58904
547 4FRZ ADP 9.58904
548 3B9Q MLI 9.60265
549 4MKF AP5 9.67742
550 5L3R GCP 9.89761
551 1OXV ANP 9.91501
552 1B0U ATP 9.92366
553 1X8J A3P 9.93151
554 2A5J GDP 9.94764
555 4R2I ANP 10
556 4NSQ COA 10
557 4MKG AP5 10.1382
558 1Z0K GTP 10.1449
559 2HF9 GSP 10.177
560 5G3Y ADP 10.177
561 3TMK T5A 10.1852
562 2ORV 4TA 10.2564
563 1NY5 ADP 10.274
564 4PFO ADP 10.274
565 3V2U ATP 10.274
566 1D2N ANP 10.2941
567 4KFU ACP 10.3774
568 1CXZ GSP 10.4651
569 1Q20 PLO 10.6164
570 1Q20 A3P 10.6164
571 2AWN ADP 10.7612
572 3RLF ANP 10.7612
573 4KVG GTP 10.7692
574 1SVI GDP 10.7692
575 2D7C GTP 10.7784
576 4XTR ADP 10.8108
577 4XTR ATP 10.8108
578 5FVJ ACO 10.8434
579 1Y63 ADP 10.8696
580 3TNF GNP 10.9195
581 3QBT GNP 10.9195
582 3WYF GTP 10.9589
583 5IRN ADP 10.9589
584 5UWH GNP 10.9589
585 5UWI GNP 10.9589
586 5UWP GNP 10.9589
587 5UWS GNP 10.9589
588 5DIF GNP 10.9589
589 5UWT GNP 10.9589
590 6CIT GNP 10.9589
591 5UWU GNP 10.9589
592 5UWJ GNP 10.9589
593 4HAT GNP 10.9589
594 5DHF GNP 10.9589
595 5DI9 GNP 10.9589
596 3M1I GTP 10.9589
597 3WYG GTP 10.9589
598 5VHC BEF ADP 10.9589
599 5Y6N ADP 10.9589
600 4U00 ADP 11.0656
601 5UQW GDP 11.1111
602 1MKY GDP 11.1617
603 1S8F GDP 11.2994
604 1ZUI SKM 11.3095
605 3REF GDP 11.3402
606 4NU0 AP5 11.5207
607 5WLB GNP 11.7647
608 3EZ2 ADP 11.809
609 1ZIN AP5 11.9816
610 3DZD ADP 11.9863
611 1W4R TTP 12.3077
612 4DID GDP 12.5
613 5UPK GNP 12.5
614 1HTW ADP 12.6582
615 3COB ADP 12.6712
616 5IRR GSP 12.6712
617 5J1S ATP 12.9707
618 5XKT GNP 13
619 2XT3 ADP 13.0137
620 2WKQ GTP 13.3562
621 2BME GNP 13.4409
622 1EK0 GNP 13.5294
623 3BC1 GNP 13.5593
624 5LEF GTP 13.6364
625 1TU3 GNP 14.0351
626 1TQ4 GDP 14.0411
627 2F9L GDP 14.0704
628 1F2U ATP 14.094
629 1R2Q GNP 14.1176
630 4WZ6 ATP 14.1379
631 1ZC3 GNP 14.1593
632 3MJH GTP 14.2857
633 2D7D ADP 14.3836
634 1NJF AGS 14.4
635 1NJF ADP 14.4
636 1GWN GTP 14.6341
637 4TTQ ATP 14.8837
638 1LFD GNP 14.9425
639 1Z0A GDP 14.9425
640 1OIX GDP 15.1832
641 1OIV GDP 15.1832
642 2ZEJ GDP 15.2174
643 1ZD9 GDP 15.4255
644 4R98 GNH 15.4982
645 4XOI GTP 15.5556
646 1E96 GTP 15.625
647 1RYH GNP 15.7635
648 6G96 ACO 15.9091
649 1G7C 5GP 15.9574
650 1R0X ATP 16.0839
651 1I4D GDP 16.1458
652 1LVG ADP 16.1616
653 5JCZ GDP 16.2011
654 4LX0 BEF GDP 16.3842
655 1DS6 GDP 16.6667
656 1MH1 GNP 16.6667
657 4C4P GNP 16.763
658 1OFH ADP 16.7742
659 1WA5 GTP 16.7808
660 1G4U GDP 16.8478
661 2HV8 GTP 16.8605
662 3ZIA ATP 17.1233
663 3ZIA ADP 17.1233
664 1W0J ADP 17.1233
665 1W0J ADP BEF 17.1233
666 2FJU GSP 17.4157
667 1HE1 GDP 17.6136
668 4X8O AP5 17.757
669 6BC0 GSP 18
670 6CS8 F9Y 18.1507
671 4Q1A UDP 18.2143
672 4Q1A 2XZ 18.2143
673 2WHX ADP 19.1781
674 2JLR ANP 19.1781
675 3Q85 GNP 19.5266
676 1M7G ADX 19.9052
677 1M7G AV2 19.9052
678 1M7G ADP 19.9052
679 2QN6 GDP 21.5054
680 2PZE ATP 21.8341
681 5EXT ADP 21.9231
682 2QTV GNP 22.449
683 5KDO GDP 24.3243
684 1K6M AGS 24.6575
685 1GOT GDP 24.6575
686 2VB6 ADP BEF 25.5034
687 5UWR GNP 25.9259
688 2W83 GTP 25.974
689 2V7Q ATP 26
690 2CK3 ADP 26
691 2V7Q ADP 26
692 2CK3 ANP 26
693 1QHH ATP 26.3473
694 3B5J 12D 28.8066
695 5UWO GNP 30
696 5UWQ GNP 31.8182
697 5UWW GNP 33.3333
698 4KBF AMP 40.411
699 3B7G ANP 45.2174
Pocket No.: 2; Query (leader) PDB : 4PX9; Ligand: ADP; Similar sites found with APoc: 16
This union binding pocket(no: 2) in the query (biounit: 4px9.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5NM7 GLY 1.8797
2 1D6S MET PLP 2.05479
3 1D6S PLP MET 2.05479
4 3G5N PB2 2.39726
5 4H6U ACO 2.5
6 2ZW5 COA 3.08219
7 1S7N COA 3.08219
8 3R96 ACO 4.25532
9 3R96 AMP 4.25532
10 4XPL ACO 4.29448
11 2B4B COA 7.01754
12 3AD8 NAD 9.09091
13 2IL4 COA 10.6796
14 2XCU C5P 11.3014
15 1I1D COA 11.8012
16 3WR7 COA 22.3529
Pocket No.: 3; Query (leader) PDB : 4PX9; Ligand: ADP; Similar sites found with APoc: 14
This union binding pocket(no: 3) in the query (biounit: 4px9.bio3) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3Q3H UDP 3.08219
2 3WCZ CIT 3.08219
3 5MEX SZZ 3.42466
4 4P8K 38C 3.75
5 4P8K FAD 3.75
6 4AUT FAD 3.84615
7 5EOB 5QQ 4.10959
8 1IYK MIM 4.10959
9 2Q7V FAD 4.10959
10 2ZWI C5P 4.45205
11 5LTJ BEF 5.47945
12 3P7I P7I 8.90411
13 3AI3 SOL 13.6882
14 4J56 FAD 17.5439
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