Receptor
PDB id Resolution Class Description Source Keywords
3AKK 2.5 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF A HELICOBACTER PYLORI PROINFLAMMATORY K HELICOBACTER PYLORI PROTEIN KINASE TRANSFERASE
Ref.: HELICOBACTER PYLORI PROINFLAMMATORY PROTEIN UP-REGU NF-KAPPAB AS A CELL-TRANSLOCATING SER/THR KINASE PROC.NATL.ACAD.SCI.USA V. 107 21418 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:500;
B:500;
C:500;
D:500;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:400;
B:400;
C:400;
D:400;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3AKK 2.5 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF A HELICOBACTER PYLORI PROINFLAMMATORY K HELICOBACTER PYLORI PROTEIN KINASE TRANSFERASE
Ref.: HELICOBACTER PYLORI PROINFLAMMATORY PROTEIN UP-REGU NF-KAPPAB AS A CELL-TRANSLOCATING SER/THR KINASE PROC.NATL.ACAD.SCI.USA V. 107 21418 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 3AKK - 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 3AKK - ADP C10 H15 N5 O10 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 55 families.
1 3AKK - 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 : 3AKK; Ligand: ADP; Similar sites found: 293
This union binding pocket(no: 1) in the query (biounit: 3akk.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DG2 GAL GLC 0.01928 0.40654 None
2 5TO8 7FM 0.0001221 0.50546 1.06383
3 4CLI 5P8 0.000485 0.48239 1.23077
4 4OAV ACP 0.0009881 0.44542 1.23077
5 4CCW VKC 0.01464 0.41044 1.33779
6 4EWH T77 0.0002495 0.42217 1.45455
7 5BVE 4VG 0.001027 0.48081 1.53846
8 4K33 ACP 0.0001873 0.4677 1.53846
9 4H3P ANP 0.0007554 0.44607 1.53846
10 4H3Q ANP 0.0006704 0.42871 1.53846
11 5T8O 76Z 0.001578 0.42228 1.53846
12 3PP0 03Q 0.001757 0.40977 1.53846
13 3RFA SAM 0.008379 0.40016 1.53846
14 1AUX AGS 0.0004005 0.45816 1.60772
15 4GLW 0XT 0.002428 0.4467 1.63934
16 5UOX 8GY 0.00008311 0.46754 1.84502
17 4WNK 453 0.00005365 0.50965 1.84615
18 2PVF ACP 0.00006247 0.49921 1.84615
19 3ZRM ZRM 0.0001173 0.48154 1.84615
20 4PZ6 GMP 0.0008404 0.4814 1.84615
21 1O9U ADZ 0.0007105 0.47946 1.84615
22 4AZW ATP 0.000123 0.46784 1.84615
23 4NM5 ADP 0.0003313 0.46344 1.84615
24 3F7Z 34O 0.0002191 0.45942 1.84615
25 5HCY 60D 0.001606 0.45799 1.84615
26 4O1P ANP 0.0008051 0.44485 1.84615
27 3UIM ANP 0.001082 0.43921 1.84615
28 1M0W ANP 0.0006474 0.42893 1.84615
29 4AZT LY2 0.008021 0.41651 1.84615
30 2JLD AG1 0.00009664 0.41051 1.84615
31 3E7O 35F 0.01034 0.40933 1.84615
32 3RI1 3RH 0.00002254 0.46701 1.91693
33 5UR1 YY9 0.0008737 0.4693 1.92926
34 1I7L ATP 0.0003424 0.43081 1.94175
35 3KRR DQX 0.0001265 0.52681 2.0339
36 2QCS ANP 0.0001461 0.43389 2.06186
37 4GYI ADP 0.0002931 0.47992 2.15385
38 5I35 ANP 0.0001936 0.47718 2.15385
39 4XH0 ADP 0.009416 0.42384 2.15385
40 5EFQ ADP 0.002456 0.41624 2.15385
41 1CKN GTP 0.01478 0.4078 2.15385
42 3NW7 LGV 0.002122 0.45431 2.28013
43 1OBD ATP 0.000834 0.45857 2.28758
44 1IOW PHY 0.001135 0.45563 2.28758
45 1IOW ADP 0.001135 0.45563 2.28758
46 4YMJ 4EJ 0.0002392 0.50592 2.30263
47 1ZY5 ANP 0.0002058 0.47598 2.31023
48 1VJY 460 0.001448 0.44812 2.31023
49 2VN9 GVD 0.0001353 0.5087 2.32558
50 1ZX5 LFR 0.002276 0.4724 2.33333
51 1K3A ACP 0.0002592 0.43819 2.34114
52 2XMY CDK 0.0004215 0.50206 2.34899
53 2V7O DRN 0.00001227 0.56022 2.46154
54 3X01 AMP 0.0000821 0.53015 2.46154
55 4BTK DTQ 0.00009352 0.48586 2.46154
56 2PUL ACP 0.0003176 0.46753 2.46154
57 5AWM ANP 0.002955 0.43745 2.46154
58 3VPD ANP 0.001088 0.4227 2.4911
59 4A9C B5F 0.007313 0.43236 2.53165
60 4FG8 ATP 0.0001796 0.46218 2.53968
61 1RE8 BD2 0.00005966 0.5275 2.57143
62 4RDL FUC GAL NDG FUC 0.01523 0.41515 2.5974
63 4AUA 4AU 0.0001055 0.46583 2.60586
64 5GZ9 ANP 0.0005407 0.45415 2.62295
65 5HX8 66P 0.00003209 0.45677 2.64901
66 4BCN T9N 0.0001845 0.48937 2.67176
67 4CFU 2WC 0.0009197 0.45156 2.67176
68 4BCM T7Z 0.0005236 0.43904 2.67176
69 4BCQ TJF 0.009608 0.41271 2.67176
70 3PLS ANP 0.0002655 0.47102 2.68456
71 5LMK 6ZK 0.001459 0.41213 2.71318
72 1SQL GUN 0.01333 0.41892 2.73973
73 3K5I ADP 0.0002401 0.45594 2.76923
74 4P5Z Q7M 0.002856 0.44088 2.76923
75 4FL3 ANP 0.0007221 0.4314 2.76923
76 2W8Q SIN 0.006924 0.42197 2.76923
77 5C03 AGS 0.002647 0.41403 2.76923
78 3ALN ANP 0.003019 0.41025 2.76923
79 2B9W FAD 0.039 0.40227 2.76923
80 4Y85 499 0.004364 0.40105 2.76923
81 2WEI VGG 0.003184 0.42678 2.78746
82 3VPC ADP 0.003549 0.40242 2.83688
83 2F57 23D 0.001215 0.446 2.83912
84 4WOV 3SM 0.003078 0.43189 2.83912
85 5N87 N66 0.0009257 0.46098 2.8754
86 5JKG 6LF 0.0006816 0.46963 2.89389
87 5HES 032 0.001952 0.42794 2.9316
88 5IQD GNP 0.0006596 0.46903 2.95082
89 5IQD RIO 0.0007024 0.46903 2.95082
90 1I7E IBS 0.005319 0.4391 3.01887
91 2CSN CKI 0.00008061 0.44557 3.0303
92 2IF8 ADP 0.0001377 0.51547 3.07692
93 3VOT ADP 0.001209 0.45617 3.07692
94 3VSV XYS 0.002555 0.45355 3.07692
95 2VPQ ANP 0.0008548 0.42334 3.07692
96 4ANW O92 0.00006435 0.42148 3.07692
97 5DXT 5H5 0.00231 0.42086 3.07692
98 5NCY 8TK 0.0003843 0.40341 3.07692
99 2D6M LBT 0.0005862 0.5018 3.14465
100 5U6C 7YS 0.001186 0.43734 3.1746
101 5KO1 6UY 0.002771 0.42532 3.18021
102 2X2M X2M 0.0004164 0.4402 3.18471
103 4I6H 1C8 0.002957 0.42005 3.24675
104 3SRV S19 0.00006273 0.49913 3.2491
105 4F4P 0SB 0.004542 0.44789 3.2967
106 3VRV YSD 0.01535 0.41615 3.32103
107 5X8I SQZ 0.00005833 0.49485 3.38462
108 1XJD STU 0.00004958 0.49247 3.38462
109 3TXO 07U 0.0002442 0.47799 3.38462
110 5MW8 ATP 0.0001764 0.4754 3.38462
111 4UWH JXM 0.0003424 0.47126 3.38462
112 1CM8 ANP 0.000677 0.45279 3.38462
113 5CKW ANP 0.0002213 0.43639 3.38462
114 4XYM A12 0.001087 0.43492 3.38462
115 3TY5 ADP 0.004176 0.42137 3.38462
116 3KRL KRL 0.002231 0.41008 3.38462
117 5DA3 58V 0.005949 0.42278 3.39623
118 1V0O INR 0.0004439 0.45162 3.47222
119 1U59 STU 0.00001837 0.51686 3.48432
120 4G9N NGA 0.0159 0.41594 3.4965
121 3BU5 ATP 0.001047 0.43985 3.59477
122 5CEO 50D 0.004699 0.40332 3.66667
123 3PTG 932 0.0005311 0.47934 3.69231
124 5V22 SAH 0.002179 0.42195 3.7037
125 4CC6 L5Y 0.001186 0.4621 3.77358
126 2QX0 PH2 0.002978 0.4544 3.77358
127 4BKJ STI 0.01061 0.40071 3.80952
128 4R78 AMP 0.003821 0.43695 3.8835
129 4OUJ LBT 0.001599 0.46423 3.90879
130 5JLB SAH 0.0011 0.44333 3.94265
131 4FMU 0UM 0.001915 0.40621 3.95683
132 4IX4 ADP 0.00002554 0.50735 4
133 5LXC 7AA 0.0001201 0.46084 4
134 3GC0 AMP 0.001676 0.44431 4
135 2B9J ADP 0.002371 0.42836 4
136 2B9H ADP 0.001623 0.42744 4
137 2B9F ADP 0.002647 0.42216 4
138 5BYZ 4WE 0.00783 0.41356 4
139 4KBA 1QM 0.01304 0.41051 4
140 4XBA GMP 0.01224 0.40362 4
141 4Y93 746 0.001661 0.40163 4
142 4DFU QUE 0.00007117 0.53002 4.03727
143 5C4L 4XR 0.0004256 0.47074 4.04984
144 5C4L SIS 0.002485 0.43612 4.04984
145 1UPR 4IP 0.01426 0.40104 4.06504
146 2GQR ADP 0.006376 0.40905 4.21941
147 2GQS ADP 0.006377 0.40904 4.21941
148 2WBV SIA 0.02292 0.41471 4.2328
149 4ZS4 ATP 0.00005944 0.48909 4.23453
150 3DNT ATP 0.00000004676 0.57716 4.30769
151 4U98 ACP 0.00003815 0.50881 4.30769
152 4CYI ATP 0.002048 0.42511 4.30769
153 4NST ADP 0.002348 0.41705 4.30769
154 2YRX AMP 0.01376 0.41678 4.30769
155 3ZGE ASP 0.0154 0.40385 4.30769
156 2ZV2 609 0.000479 0.47555 4.36242
157 1TZD ADP 0.001036 0.46175 4.36364
158 4AU8 Z3R 0.0001848 0.49547 4.39189
159 4TWP AXI 0.0005628 0.48045 4.42804
160 4ZGP ADP 0.003531 0.40319 4.43686
161 3O0G 3O0 0.0001126 0.46484 4.45205
162 4XLI 1N1 0.002571 0.42678 4.47761
163 4OCJ NDG 0.00006043 0.40416 4.48549
164 4EN4 GT1 0.01633 0.4068 4.48718
165 4EN4 GT0 0.01633 0.4068 4.48718
166 1W2D ADP 0.0009877 0.4604 4.5283
167 3FHI ANP 0.0001976 0.42914 4.54545
168 5UKL SIX 0.0002429 0.47681 4.61538
169 4BHN BH9 0.0001374 0.46569 4.61538
170 5LPZ ADP 0.0002995 0.46369 4.61538
171 5VZ0 ADP 0.0003822 0.44418 4.61538
172 5FI4 5XV 0.003701 0.41933 4.61538
173 3HAV ATP 0.00008831 0.52763 4.68227
174 1VBO MAN MAN MAN 0.01677 0.40921 4.69799
175 4FE2 ADP 0.01239 0.40337 4.70588
176 3PDT ADP 0.00009937 0.49592 4.72727
177 1GSA ADP 0.00005852 0.46644 4.74684
178 2VZ6 FEF 0.000052 0.51522 4.79233
179 5FBN 5WF 0.009246 0.41393 4.79705
180 3TDV GDP 0.001156 0.43795 4.90196
181 2PYW ADP 0.00005999 0.4813 4.92308
182 3WVR AMP 0.0002988 0.47398 4.92308
183 1PK8 ATP 0.001054 0.40697 4.92308
184 5TDF ADP 0.0007063 0.44509 4.93827
185 3IDB ANP 0.00009174 0.45908 4.96894
186 5LPB ADP 0.002412 0.40161 5.06757
187 5C1P DAL DAL 0.001582 0.43728 5.22876
188 5C1P ADP 0.0004297 0.42869 5.22876
189 4OCV ANP 0.00002424 0.50581 5.23077
190 5MY8 RXZ 0.0005917 0.45614 5.23077
191 2YW2 ATP 0.001748 0.42039 5.23077
192 4N9Z V3L 0.007791 0.41398 5.23077
193 4CRL C1I 0.01057 0.41009 5.26316
194 2YMZ LAT 0.01098 0.42629 5.38462
195 5W2I I3P 0.001387 0.43807 5.44747
196 5W2I ADP 0.001387 0.43807 5.44747
197 4WB6 ATP 0.00008408 0.49549 5.53846
198 4DC2 ADE 0.0007346 0.48 5.53846
199 5LI1 ANP 0.0001289 0.47922 5.53846
200 5LI9 ACP 0.0002059 0.46594 5.53846
201 2HK5 1BM 0.004394 0.404 5.55556
202 4LH7 1X8 0.0001656 0.51541 5.57276
203 3PVW QRX 0.0001588 0.43218 5.58824
204 1PHK ATP 0.0004616 0.45089 5.7047
205 1UCD U5P 0.02378 0.40254 5.78947
206 4OTH DRN 0.00002918 0.48662 5.84615
207 2IO8 ADP 0.00001864 0.47611 5.84615
208 3ORQ ADP 0.0001754 0.46146 5.84615
209 1U5R ATP 0.0005765 0.45592 5.84615
210 2WU6 DKI 0.0002173 0.44653 5.84615
211 5J6Y BGC 0.0287 0.40039 5.85106
212 5J6Y GLC 0.0287 0.40039 5.85106
213 3SLS ANP 0.001197 0.42202 5.92105
214 2WEL K88 0.002938 0.44867 6
215 1IA9 ANP 0.000009725 0.52283 6.07143
216 4L9I 8PR 0.000819 0.43241 6.15079
217 4IZY 1J2 0.0002472 0.45547 6.15385
218 2CFM AMP 0.002202 0.44361 6.15385
219 4UX9 ANP 0.0008933 0.43333 6.15385
220 3V4S ATP 0.0002037 0.45163 6.46154
221 2H8H H8H 0.002811 0.42102 6.46154
222 1Y57 MPZ 0.002041 0.40768 6.46154
223 3GON PMV 0.02266 0.40273 6.46154
224 5JFS 6K0 0.00406 0.436 6.49351
225 1ZTH ADP 0.0002352 0.49043 6.58915
226 1ZP9 ATP 0.0003896 0.46868 6.58915
227 3GQI ACP 0.000212 0.47027 6.63717
228 1RDS GPC 0.005879 0.41453 6.66667
229 5TA6 79D 0.0003579 0.41415 6.70391
230 4Z3X MTE 0.02853 0.4109 6.70391
231 4Z3X 4KX 0.03021 0.4109 6.70391
232 2GU8 796 0.0001317 0.51964 6.76923
233 2F2U M77 0.0005133 0.4741 6.76923
234 2VQD AP2 0.0003647 0.44874 6.76923
235 2A19 ANP 0.0001593 0.49858 6.85714
236 3IGO ANP 0.0004584 0.43942 7.07692
237 1EHI ADP 0.001742 0.42612 7.07692
238 2OFV 242 0.01212 0.40965 7.22022
239 4WW7 AMP 0.000103 0.48346 7.27969
240 3G5D 1N1 0.001601 0.4674 7.34266
241 4PU5 ANP 0.0000001206 0.57199 7.38462
242 5VC5 96M 0.001273 0.44473 7.61246
243 4YLL 4E3 0.0002342 0.47002 7.69231
244 1E4E ADP 0.002011 0.42344 7.69231
245 3GNI ATP 0.002781 0.41191 7.69231
246 5DZT AMP 0.0003644 0.4048 7.69231
247 1TQP ATP 0.0001868 0.44202 7.80142
248 3LQV ADE 0.007681 0.43444 7.82609
249 2Z48 NGA 0.02043 0.41159 8
250 2XOC ADP 0.001105 0.45843 8.04598
251 3LXN MI1 0.00004769 0.48541 8.1761
252 1BYG STU 0.0008718 0.45263 8.27338
253 4IDT T28 0.0005658 0.45628 8.30769
254 3ETH ATP 0.0002426 0.44885 8.30769
255 4GJ3 0XP 0.00008272 0.41931 8.60927
256 1T36 ADP 0.001125 0.40103 8.61539
257 1UNH IXM 0.0007546 0.42141 8.65385
258 4ME6 ADP 0.004629 0.43903 8.92308
259 4E1Z 0MX 0.00007071 0.46426 8.93471
260 2AQX ATP 0.0003757 0.44144 8.99654
261 2Q7D ANP 0.0005774 0.40888 9.23077
262 3KMW ATP 0.001884 0.43284 9.30233
263 4QMN DB8 0.0000155 0.42576 9.67742
264 5T7I LAT NAG GAL 0.02355 0.40459 9.67742
265 2QK4 ATP 0.003038 0.44188 9.84615
266 3HMO STU 0.002729 0.42561 9.94152
267 4YZC STU 0.0001134 0.50423 10.1538
268 3I0O ADP 0.0004955 0.47484 10.3245
269 3TII ANP 0.0004218 0.4782 10.4615
270 4Q5H ANP 0.0000874 0.48715 10.5263
271 4CS9 AMP 0.0005527 0.47401 10.582
272 5LXT ACP 0.0002113 0.44396 10.7692
273 1C1L GAL BGC 0.0008455 0.48509 10.9489
274 5K2M ADP 0.000634 0.45301 11.3208
275 5EOB 5QQ 0.0009311 0.47787 11.3846
276 4JGP PYR 0.0249 0.40055 11.5207
277 2HGS ADP 0.0001588 0.44774 11.6923
278 2BKK ADP 0.002801 0.43382 11.8343
279 1QVJ RP5 0.0205 0.40561 11.9863
280 3DGY 2GP 0.01328 0.41623 12.3711
281 3HZT J60 0.00006838 0.51627 12.9231
282 3UDZ ADP 0.00001979 0.50959 12.9231
283 3SXS PP2 0.002227 0.41583 13.4328
284 5HQ0 LZ9 0.00007592 0.48692 14.2857
285 1OUK 084 0.004671 0.46754 15.3846
286 3LXK MI1 0.00005042 0.44456 16
287 4O4F IHP 0.0005833 0.45817 16.5323
288 4O4F ATP 0.0005511 0.4575 16.5323
289 4Z4P SAH 0.005889 0.4106 16.8675
290 3VPB ADP 0.0005899 0.4191 17.8571
291 4CQK PIO 0.0234 0.40691 19.1489
292 3HCH RSM 0.01235 0.41823 21.2329
293 2B9I ADP 0.00219 0.42578 38.0952
Pocket No.: 2; Query (leader) PDB : 3AKK; 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: 3akk.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3AKK; Ligand: ADP; Similar sites found: 25
This union binding pocket(no: 3) in the query (biounit: 3akk.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3PN1 IVH 0.0006042 0.41802 1.25786
2 1CKM GTP 0.007467 0.41854 2.15385
3 1NJJ GET 0.02858 0.40282 2.15385
4 1ULE GLA GAL NAG 0.02155 0.41209 2.66667
5 1Z6K OAA 0.01617 0.40326 2.73038
6 5E1M PRO PRO LYS ARG ILE ALA 0.01531 0.41137 2.90456
7 5E1M SAH 0.01531 0.41137 2.90456
8 3C8F MT2 0.004429 0.43585 3.26531
9 3WG3 A2G GAL NAG FUC 0.02036 0.40437 3.37079
10 3E0M SER HIS MET ALA GLU ILE 0.013 0.40672 3.51438
11 1DRJ RIP 0.01477 0.40609 3.69004
12 5DBX ANP 0.005939 0.40009 4.30769
13 3JUC PCA 0.02629 0.40044 4.57516
14 3LHS SF8 0.0137 0.41008 4.72973
15 2WD7 VGD 0.01814 0.40274 4.85075
16 2HYV UAP SGN IDS SGN IDS 0.02152 0.40227 4.87013
17 3FRH SAH 0.01422 0.40003 5.13834
18 3FC2 IBI 0.04961 0.40671 5.37313
19 4WVW SLT 0.002096 0.46058 5.55556
20 3SAO DBH 0.01225 0.4136 5.625
21 5COU ATP 0.002772 0.42106 5.84615
22 4IJ6 SEP 0.01198 0.41787 6.16114
23 1TD2 PXL 0.007546 0.42314 6.62021
24 2ZQO NGA 0.01759 0.41181 8.46154
25 1MEX RAC 0.006927 0.41557 13.0233
Pocket No.: 4; Query (leader) PDB : 3AKK; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3akk.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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