Receptor
PDB id Resolution Class Description Source Keywords
5DMZ 2.4 Å EC: 2.7.11.1 STRUCTURE OF HUMAN BUB1 KINASE DOMAIN PHOSPHORYLATED AT SER9 HOMO SAPIENS KINASE PHOSPHORYLATION TRANSFERASE
Ref.: ROLE OF INTRINSIC AND EXTRINSIC FACTORS IN THE REGU THE MITOTIC CHECKPOINT KINASE BUB1. PLOS ONE V. 10 44673 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG B:1102;
A:1102;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
ADP B:1101;
A:1101;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DMZ 2.4 Å EC: 2.7.11.1 STRUCTURE OF HUMAN BUB1 KINASE DOMAIN PHOSPHORYLATED AT SER9 HOMO SAPIENS KINASE PHOSPHORYLATION TRANSFERASE
Ref.: ROLE OF INTRINSIC AND EXTRINSIC FACTORS IN THE REGU THE MITOTIC CHECKPOINT KINASE BUB1. PLOS ONE V. 10 44673 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 4R8Q - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 5DMZ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 4QPM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 4R8Q - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 5DMZ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 4QPM - 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 4R8Q - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 5DMZ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 4QPM - 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 : 5DMZ; Ligand: ADP; Similar sites found: 300
This union binding pocket(no: 1) in the query (biounit: 5dmz.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4OYA 1VE 0.000806 0.49261 1.36986
2 4OCV ANP 0.000006824 0.53572 1.64384
3 5MRH Q9Z 0.0006239 0.47363 1.64384
4 3LXK MI1 0.00000004676 0.65075 1.83486
5 2ZYI STE 0.004877 0.41926 1.91781
6 4R78 AMP 0.00001404 0.485 1.94175
7 4XYM A12 0.002887 0.42051 2.17391
8 5MW8 ATP 0.00000002576 0.65153 2.19178
9 3KAL ADP 0.0036 0.43517 2.19178
10 3WVR AMP 0.0008427 0.43423 2.19178
11 3ETH ATP 0.006683 0.40814 2.25352
12 5IQD GNP 0.0003319 0.48746 2.29508
13 5IQD RIO 0.0003623 0.48697 2.29508
14 3I0O ADP 0.00005649 0.46323 2.35988
15 2PUL ACP 0.006914 0.42763 2.46575
16 3BEO UDP 0.003154 0.4113 2.46575
17 5AHS SIN 0.01893 0.4046 2.46575
18 5TDF ADP 0.00584 0.40895 2.46914
19 2CDO GAL AAL GAL AAL GAL AAL 0.01764 0.40741 2.5
20 5HCY 60D 0.000003248 0.59096 2.71903
21 4ANW O92 0.0001572 0.49686 2.73973
22 3DNT ATP 0.0005626 0.45977 2.73973
23 1M0W ANP 0.002995 0.40895 2.73973
24 1N4W FAD 0.03036 0.40235 2.73973
25 2AQX ATP 0.001483 0.43721 2.76817
26 4O4F ATP 0.006404 0.41391 2.82258
27 4O4F IHP 0.006917 0.41391 2.82258
28 2E5A LAQ 0.005195 0.42248 2.88184
29 3HAV ATP 0.00617 0.41617 3.01003
30 3GNI ATP 0.000000604 0.58486 3.0137
31 2VPQ ANP 0.0006745 0.45436 3.0137
32 4PU5 ANP 0.0003966 0.4325 3.0137
33 4J1Q NDP 0.01194 0.40589 3.0137
34 1H82 GZZ 0.04929 0.40292 3.0137
35 1H82 FAD 0.04288 0.40292 3.0137
36 2IF8 ADP 0.0002209 0.42797 3.0303
37 5FI4 5XV 0.009737 0.40413 3.09598
38 1YRO UDP 0.02347 0.40228 3.25203
39 4O1P ANP 0.0000005898 0.57926 3.28767
40 1UWK NAD 0.01519 0.41868 3.28767
41 1UWK URO 0.01519 0.41868 3.28767
42 1F0X FAD 0.02138 0.40527 3.28767
43 5G5G FAD 0.02694 0.40317 3.28767
44 1J0X NAD 0.03152 0.40156 3.31325
45 1I7L ATP 0.001851 0.43656 3.55987
46 3X01 AMP 0.0002613 0.50315 3.56164
47 2QK4 ATP 0.001831 0.40239 3.56164
48 1IOW PHY 0.002915 0.4407 3.59477
49 1IOW ADP 0.002915 0.4407 3.59477
50 2XG5 EC5 0.008427 0.41156 3.66972
51 2XG5 EC2 0.008427 0.41156 3.66972
52 3E85 BSU 0.02279 0.40394 3.79747
53 4OAV ACP 0.0000005618 0.57123 3.83562
54 4E93 GUI 0.000004756 0.56717 3.83562
55 2IO8 ADP 0.001097 0.44675 3.83562
56 2VQD AP2 0.001069 0.44154 3.83562
57 3SRV S19 0.00000005352 0.61514 3.97112
58 3D91 REM 0.02465 0.44319 4.10557
59 3UDZ ADP 0.00000002731 0.64088 4.10959
60 2PYW ADP 0.000002414 0.55831 4.10959
61 1CM8 ANP 0.00002122 0.50456 4.10959
62 5VZ0 ADP 0.0005312 0.44558 4.10959
63 5MJA 7O3 0.0003156 0.45031 4.2623
64 4CLI 5P8 0.00003264 0.54302 4.28135
65 4DFU QUE 0.01728 0.40692 4.34783
66 2RDE C2E 0.001915 0.40909 4.38247
67 3ORQ ADP 0.006771 0.4061 4.38356
68 5U6C 7YS 0.00001983 0.52039 4.44444
69 5C1P ADP 0.003374 0.41753 4.57516
70 4WHZ 3NL 0.000006965 0.58033 4.65753
71 1OUK 084 0.0001982 0.54289 4.65753
72 3TTI KBI 0.00000003783 0.54029 4.65753
73 4AZW ATP 0.00008466 0.49014 4.65753
74 3C1X CKK 0.004713 0.41489 4.65753
75 3VOT ADP 0.001674 0.41155 4.65753
76 4AZT LY2 0.002336 0.40641 4.65753
77 2Z3Y F2N 0.03301 0.40057 4.65753
78 1RM6 FAD 0.02988 0.40011 4.65753
79 4UX9 ANP 0.000000000221 0.69272 4.67033
80 3PTG 932 0.00001361 0.48217 4.6832
81 4LOO SB4 0.0004109 0.45536 4.70914
82 3PDT ADP 0.0000003215 0.57459 4.72727
83 1TZD ADP 0.0001417 0.40711 4.72727
84 1W2D ADP 0.0005185 0.47161 4.90566
85 4U98 ACP 0.0008296 0.44661 4.93151
86 5LRT ADP 0.0106 0.404 4.93151
87 3VPC ADP 0.0005881 0.4306 4.96454
88 1BYG STU 0.0000002084 0.58201 5.03597
89 3RI1 3RH 0.0000002555 0.61479 5.11182
90 4F4P 0SB 0.00001345 0.57646 5.12821
91 4OCJ NDG 0.000001308 0.60206 5.20548
92 4CYI ATP 0.0001449 0.47984 5.20548
93 4GID 0GH 0.02532 0.43132 5.20548
94 4B2Z P5S 0.01802 0.40785 5.20548
95 5HX8 66P 0.000000606 0.5978 5.29801
96 5IGI ZIT 0.004966 0.43336 5.31561
97 5IGI GMP 0.004701 0.43336 5.31561
98 5BYZ 4WE 0.000006536 0.55896 5.45977
99 5JKG 6LF 0.00001002 0.5604 5.46624
100 5I35 ANP 0.0000158 0.51085 5.47945
101 5K2M ADP 0.001035 0.44789 5.66038
102 1IA9 ANP 0.000003978 0.53316 5.71429
103 3W0O HY0 0.0001135 0.50016 5.73066
104 3W0O ADP 0.0001135 0.50016 5.73066
105 5W2I I3P 0.0004363 0.46473 5.83658
106 5W2I ADP 0.0004363 0.46473 5.83658
107 3VHE 42Q 0.00001835 0.43823 5.84958
108 3TDV GDP 0.000000005275 0.66852 5.88235
109 4FE2 ADP 0.0002579 0.48017 5.88235
110 5A5W GUO 0.0157 0.41266 5.92885
111 4GYI ADP 0.0000007627 0.59834 6.0274
112 5MY8 RXZ 0.000004221 0.5574 6.0274
113 4WA2 SIA GAL NAG 0.01341 0.41253 6.0274
114 3SM2 478 0.01588 0.41047 6.06061
115 4P5Z Q7M 0.000127 0.50843 6.30137
116 2V58 LZJ 0.005134 0.43881 6.30137
117 3HMO STU 0.00001412 0.51232 6.43275
118 1G4U AF3 0.01717 0.40905 6.52174
119 3ZJX BOG 0.0005851 0.48544 6.57439
120 4XH0 ADP 0.0001008 0.52179 6.57534
121 4MOP 2H5 0.04318 0.40078 6.57534
122 5LJB RTL 0.009171 0.40027 6.66667
123 4IDT T28 0.000000001345 0.68141 6.74157
124 4H2W AMP 0.002931 0.41338 6.79612
125 4H2W 5GP 0.003822 0.41312 6.79612
126 4H2X G5A 0.003769 0.40733 6.79612
127 1FQK ALF 0.02047 0.4054 6.80272
128 1HE1 AF3 0.01847 0.40795 6.81818
129 4KBA 1QM 0.0004609 0.40816 6.94864
130 5N87 N66 0.000001255 0.59948 7.02875
131 2XMY CDK 0.000001235 0.63306 7.04698
132 4YZC STU 0.00000001078 0.69824 7.12329
133 2CSN CKI 0.001373 0.4764 7.40741
134 5X8I SQZ 0.000000003854 0.67447 7.51445
135 4WW7 AMP 0.00002454 0.51628 7.66284
136 2JLD AG1 0.0000002661 0.62715 7.67123
137 4D2S DYK 0.000007906 0.50305 7.74648
138 1PK8 ATP 0.002274 0.43422 7.81991
139 1UNH IXM 0.0000005027 0.5525 7.87671
140 5U98 1KX 0.03895 0.40568 8.08081
141 4AU8 Z3R 0.00002155 0.48354 8.10811
142 5L2J 6UL 0.01215 0.43433 8.16327
143 5L2J 70E 0.01286 0.43433 8.16327
144 4K33 ACP 0.000000002588 0.68577 8.61539
145 5C4L SIS 0.0000443 0.52064 8.72274
146 5C4L 4XR 0.00009115 0.5062 8.72274
147 5CKW ANP 0.000007057 0.50193 8.76712
148 1OBD ATP 0.000323 0.44247 9.47712
149 4BCN T9N 0.000001074 0.59139 9.54198
150 4CFU 2WC 0.000001099 0.58268 9.54198
151 4BCQ TJF 0.0000031 0.51038 9.54198
152 4BCM T7Z 0.0006292 0.4154 9.54198
153 5IH1 GDP 0.02894 0.40654 9.60265
154 5IH1 6BQ 0.03148 0.40474 9.60265
155 1ZP9 ATP 0.000001433 0.54631 9.68992
156 1ZTH ADP 0.0000008351 0.53781 9.68992
157 5LMK 6ZK 0.0003599 0.4488 9.68992
158 3PLS ANP 0.000001389 0.55515 9.73154
159 1U59 STU 0.00000007277 0.61886 9.7561
160 2A19 ANP 0.0000004787 0.61696 9.85915
161 2PVF ACP 0.00000002508 0.6285 9.88024
162 2Y6O 1N1 0.002299 0.42875 9.96564
163 2BKK ADP 0.0001099 0.46064 10.0592
164 2GQS ADP 0.00005139 0.4881 10.1266
165 2GQR ADP 0.0001276 0.47037 10.1266
166 4UWH JXM 0.001305 0.42273 10.137
167 4Y93 746 0.00001643 0.53079 10.6849
168 3O0G 3O0 0.0000008923 0.56277 10.7383
169 4ZS4 ATP 0.0000002237 0.60082 10.9589
170 4XLI 1N1 0.0001874 0.46451 11.194
171 3TXO 07U 0.0000001469 0.5867 11.6147
172 5KO1 6UY 0.00004754 0.4905 11.6608
173 5GZ9 ANP 0.000000000511 0.7275 11.8033
174 3NW7 LGV 0.0000223 0.55346 12.0521
175 1K3A ACP 0.0001119 0.4651 12.3746
176 1TQP ATP 0.0000001919 0.54124 12.766
177 4QTB 38Z 0.0000002829 0.61746 13.1507
178 4WB7 ATP 0.0000000009035 0.74655 13.4247
179 3SXS PP2 0.00002884 0.51078 13.4328
180 3FHI ANP 0.000000000006173 0.82396 13.7143
181 4IZY 1J2 0.0000009015 0.54843 13.9726
182 4DC2 ADE 0.0000007576 0.48097 13.9726
183 2V7O DRN 0.0000001801 0.55346 13.9881
184 2QCS ANP 0.000000000006714 0.82231 14
185 1RE8 BD2 0.00000007579 0.67225 14
186 3IDB ANP 0.000000008939 0.67204 14
187 4IX4 ADP 0.000007977 0.5354 14
188 2WEL K88 0.00004181 0.44541 14.0673
189 2ZV2 609 0.00000007416 0.65574 14.094
190 4WB6 ATP 0.000000000003389 0.83576 14.2857
191 2VZ6 FEF 0.00000001789 0.67448 14.377
192 5LI1 ANP 0.000000000001096 0.84248 14.4068
193 4WNK 453 0.0000000001319 0.77262 14.5205
194 2GU8 796 0.00000007908 0.68282 14.5401
195 5LI9 ACP 0.000000002221 0.66768 14.5714
196 5DBX ANP 0.00000007483 0.58628 14.6341
197 5LXT ACP 0.008203 0.40587 14.6853
198 4CRL C1I 0.00002412 0.53621 15.2709
199 2VN9 GVD 0.00000004808 0.56942 15.2824
200 5T8O 76Z 0.0000002216 0.57181 15.4728
201 4OTH DRN 0.00000002312 0.65057 15.5425
202 3E7O 35F 0.00009868 0.50622 15.8333
203 3KMW ATP 0.000979 0.43491 16.2791
204 5CEO 50D 0.0002409 0.46547 16.3333
205 4FL3 ANP 0.000000004904 0.68046 16.4384
206 5FBN 5WF 0.00002682 0.53568 16.6052
207 4H3P ANP 0.000003032 0.54827 16.6667
208 4NST ADP 0.000001169 0.56631 16.8091
209 3PP0 03Q 0.000001563 0.49351 16.8639
210 5EFQ ADP 0.000001361 0.56343 17.0029
211 4BTK DTQ 0.00003296 0.50311 17.2107
212 5C03 AGS 0.00009895 0.48231 17.2515
213 4H3Q ANP 0.000000001356 0.70859 17.2603
214 5AWM ANP 0.000001444 0.53202 17.2603
215 3VRY B43 0.000132 0.43558 17.2603
216 3LXN MI1 0.000000002786 0.68794 17.2956
217 3H9R TAK 0.0001225 0.44485 17.4312
218 5LPZ ADP 0.000001048 0.56838 17.4699
219 1U5R ATP 0.0005414 0.47999 17.5287
220 3ZRM ZRM 0.00001491 0.51813 17.5342
221 4NM5 ADP 0.00227 0.46058 17.5342
222 3ALN ANP 0.0000001902 0.607 17.737
223 2B9I ADP 0.00000001916 0.64412 17.847
224 2B9J ADP 0.00000001123 0.64392 17.847
225 2B9H ADP 0.00000002609 0.64175 17.847
226 2B9F ADP 0.00000003377 0.63339 17.847
227 5EOB 5QQ 0.000002695 0.60645 17.8683
228 4E1Z 0MX 0.0000002295 0.60914 17.8694
229 4GJ3 0XP 0.0000002758 0.62233 18.2119
230 5HES 032 0.000009226 0.53514 18.241
231 3F7Z 34O 0.0000003862 0.58727 18.2857
232 3GC8 B45 0.000026 0.48089 18.3562
233 3GQI ACP 0.00000001303 0.65141 18.4049
234 4ASE AV9 0.0002273 0.48295 18.4136
235 3GC0 AMP 0.00008335 0.46994 18.541
236 4WOV 3SM 0.0002809 0.44692 18.612
237 1OPK P16 0.0002273 0.4879 18.6301
238 3E8N ATP 0.002487 0.48354 18.7683
239 3E8N VRA 0.002487 0.48354 18.7683
240 5UR1 YY9 0.00001326 0.56039 19.2926
241 2H8H H8H 0.000001603 0.56033 19.4521
242 2F57 23D 0.00003898 0.48727 19.5584
243 5LPB ADP 0.000003025 0.51595 19.5946
244 1Y57 MPZ 0.0000179 0.52471 19.726
245 4L9I 8PR 0.0000001341 0.59744 19.8413
246 5HQ0 LZ9 0.000000046 0.6342 19.8675
247 4XMF HSM 0.00006385 0.55257 20.1087
248 1PHK ATP 0.000000005085 0.6729 20.1342
249 3KRR DQX 0.000001249 0.63179 20.339
250 4EWH T77 0.00000003159 0.54134 20.3636
251 4AG8 AXI 0.00002182 0.41186 20.5696
252 3G5D 1N1 0.000008142 0.58404 20.6294
253 3SLS ANP 0.0000001371 0.61626 20.7237
254 5VC5 96M 0.000008923 0.54695 20.7612
255 5JFS 6K0 0.00008184 0.52012 21.1039
256 1VJY 460 0.00000006907 0.65224 21.1221
257 2X2M X2M 0.00000008279 0.62599 21.3376
258 4YMJ 4EJ 0.000952 0.47151 21.3816
259 3VPB ADP 0.0001201 0.49183 21.4286
260 3UIM ANP 0.000007114 0.53214 21.4724
261 5JGA 6KC 0.0000002512 0.62629 21.9048
262 4AT3 LTI 0.00005378 0.51505 22.408
263 3EKK GS2 0.000012 0.55517 22.4756
264 2XVD AS6 0.00003705 0.52068 22.5166
265 4QMN DB8 0.0000261 0.5378 22.9032
266 2HK5 1BM 0.00003264 0.5084 23.3333
267 3PVW QRX 0.00000003754 0.54935 23.5616
268 5TO8 7FM 0.00004028 0.53334 23.7589
269 5UKL SIX 0.000000006981 0.68834 23.8356
270 2WU6 DKI 0.0000001661 0.61541 23.8845
271 5BVE 4VG 0.0000001419 0.67652 24.0997
272 3HZT J60 0.000001108 0.53061 24.3836
273 5H2U 1N1 0.0007413 0.4442 24.7191
274 4CSV STI 0.005433 0.41388 24.7273
275 4BHN BH9 0.000000004883 0.67719 24.8503
276 5DA3 58V 0.00003228 0.52937 24.9057
277 5LXC 7AA 0.000000001846 0.66448 25.2055
278 3IGO ANP 0.000000001204 0.6486 25.2055
279 2OFV 242 0.0001237 0.50617 25.6318
280 3KRL KRL 0.0000894 0.49136 25.6716
281 3SXF BK5 0.0000001047 0.648 25.7534
282 4AUA 4AU 0.00002122 0.50542 26.0586
283 5EKO N17 0.001191 0.44334 26.5753
284 4U0I 0LI 0.0005788 0.46918 27.3016
285 3BU5 ATP 0.000002104 0.55519 27.7778
286 1XJD STU 0.00000003674 0.63523 27.8261
287 4Y85 499 0.000007252 0.52412 28.012
288 4H2V AMP 0.003647 0.41985 28.1818
289 5TA6 79D 0.0000901 0.50124 29.3296
290 4I6H 1C8 0.001251 0.43429 30.1948
291 1V0O INR 0.00000002037 0.6277 30.5556
292 5UOX 8GY 0.0000000152 0.65866 30.9963
293 1ZY5 ANP 0.0007421 0.43855 31.0231
294 4YLL 4E3 0.00000007694 0.63032 31.0249
295 4FG8 ATP 0.0000000003139 0.72978 31.1111
296 3FC2 IBI 0.01335 0.43289 31.3433
297 2WEI VGG 0.000002035 0.53943 31.7073
298 5USZ SKE 0.000006012 0.55475 31.8339
299 4Q5H ANP 0.0000002738 0.59378 35.6322
300 4TWP AXI 0.00001198 0.56516 41.3284
Pocket No.: 2; Query (leader) PDB : 5DMZ; Ligand: ADP; Similar sites found: 18
This union binding pocket(no: 2) in the query (biounit: 5dmz.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3CIF NAD 0.0143 0.40043 2.50696
2 3KA2 2NC 0.02701 0.40589 2.95567
3 5JY6 NAD 0.03491 0.40121 3.08989
4 1T3Q FAD 0.01118 0.41446 3.28767
5 3HAD NAD 0.03133 0.40277 3.57143
6 1OPB RET 0.004772 0.40923 3.73134
7 2VYN NAD 0.01451 0.40014 3.92749
8 3TM0 ANP 0.0001806 0.40258 4.18251
9 2AG4 LP3 0.01842 0.42092 4.26829
10 2AG4 OLA 0.01842 0.42092 4.26829
11 3A5Z KAA 0.009198 0.4091 4.26829
12 2Q7D ANP 0.009311 0.40471 5.49133
13 4FE2 AIR 0.01581 0.40222 5.88235
14 3QV1 NAD 0.01161 0.40043 7.4184
15 2CFM AMP 0.01246 0.40724 7.94521
16 1T36 ADP 0.009424 0.40591 9.0411
17 2BPM 529 0.000002157 0.40537 9.43396
18 4QYN RTL 0.003381 0.41935 22.5564
Feedback