Receptor
PDB id Resolution Class Description Source Keywords
5EFQ 2 Å EC: 2.7.11.222.7.11.23 CRYSTAL STRUCTURE OF HUMAN CDK13/CYCLIN K IN COMPLEX WITH AD FLUORIDE HOMO SAPIENS KINASE CYCLIN ADP TRANSFERASE
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF THE CDK13/CYC COMPLEX. CELL REP V. 14 320 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG C:1103;
A:1104;
A:1103;
C:1104;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
ADP C:1101;
A:1101;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
AF3 C:1102;
A:1102;
Invalid;
Invalid;
none;
none;
submit data
83.977 Al F3 F[Al]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EFQ 2 Å EC: 2.7.11.222.7.11.23 CRYSTAL STRUCTURE OF HUMAN CDK13/CYCLIN K IN COMPLEX WITH AD FLUORIDE HOMO SAPIENS KINASE CYCLIN ADP TRANSFERASE
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF THE CDK13/CYC COMPLEX. CELL REP V. 14 320 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5EFQ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4NST - AF3 Al F3 F[Al](F)F
2 5EFQ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4NST - AF3 Al F3 F[Al](F)F
2 5EFQ - 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 : 5EFQ; Ligand: ADP; Similar sites found: 334
This union binding pocket(no: 1) in the query (biounit: 5efq.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3AKK ADP 0.002456 0.41624 2.15385
2 3RG9 WRA 0.0231 0.40366 2.91667
3 3RG9 NDP 0.02 0.40366 2.91667
4 4OCJ NDG 0.00003347 0.53572 2.98507
5 2PYW ADP 0.00001384 0.52485 2.98507
6 1CKM GTP 0.00465 0.43072 3.0303
7 5H9I XAN 0.02093 0.40751 3.33333
8 5MW8 ATP 0.00004378 0.50737 3.35821
9 4UWH JXM 0.005753 0.41299 3.35821
10 2VQD AP2 0.0003311 0.44516 3.45821
11 5BSR COA 0.04187 0.40345 3.7464
12 2GQR ADP 0.005586 0.40194 3.79747
13 1SGJ OAA 0.008554 0.40073 3.87324
14 3HAV ATP 0.0002143 0.50696 4.01338
15 5D2R 56W 0.004462 0.40405 4.03458
16 4DFU QUE 0.008837 0.42171 4.03727
17 5TDF ADP 0.0006615 0.45073 4.10448
18 2CFM AMP 0.002849 0.43615 4.10448
19 4ZGP ADP 0.003693 0.41768 4.10448
20 2BKK ADP 0.00008556 0.50256 4.16667
21 4DHL 0K7 0.0063 0.4332 4.32277
22 1T36 ADP 0.004975 0.42191 4.32277
23 1EHI ADP 0.002132 0.41821 4.32277
24 3ORQ ADP 0.001516 0.41809 4.32277
25 4LH7 1X8 0.0007959 0.48015 4.33437
26 1I06 TZL 0.008572 0.42238 4.44444
27 4ZS4 ATP 0.00001692 0.50658 4.47761
28 5C1P ADP 0.002847 0.43142 4.47761
29 2IO8 ADP 0.000305 0.42701 4.47761
30 1W2D ADP 0.001117 0.45564 4.5283
31 3X01 AMP 0.001045 0.47048 4.83461
32 1I7L ATP 0.00006251 0.4521 4.85075
33 4U98 ACP 0.001298 0.43794 4.85075
34 1IA9 ANP 0.00002303 0.50072 5
35 4OUC 5ID 0.0000003382 0.60602 5.18732
36 3UDZ ADP 0.00003819 0.50292 5.22388
37 5DZT AMP 0.0008651 0.40051 5.22388
38 3RE4 TO1 0.00001856 0.54088 5.42636
39 3VOT ADP 0.0003052 0.48264 5.4755
40 2VPQ ANP 0.0004223 0.46344 5.4755
41 2OVD DAO 0.008875 0.42507 5.49451
42 4OCV ANP 0.00002477 0.49918 5.59701
43 3ETH ATP 0.001038 0.44408 5.59701
44 4XYM A12 0.0002151 0.45942 5.65217
45 1FWM CB3 0.009067 0.40394 5.68182
46 1PK8 ATP 0.00006774 0.44505 5.76369
47 2YRX AMP 0.01113 0.41892 5.76497
48 1ZP9 ATP 0.000003163 0.56174 5.81395
49 1ZTH ADP 0.000002851 0.51546 5.81395
50 5C4L 4XR 0.00007539 0.51 5.919
51 5C4L SIS 0.0009497 0.45927 5.919
52 4AZT LY2 0.001095 0.45606 6.05187
53 1CBK ROI 0.01692 0.40988 6.25
54 4AZW ATP 0.0007613 0.44804 6.34006
55 4CC6 L5Y 0.002704 0.44232 6.60377
56 5I35 ANP 0.0000001415 0.61456 6.62824
57 1KOL NAD 0.03527 0.41789 6.62824
58 1M0W ANP 0.004097 0.40405 6.71642
59 2IF8 ADP 0.0008152 0.47405 6.91643
60 3TII ANP 0.002698 0.43729 6.91643
61 3I0O ADP 0.0000318 0.52968 7.07965
62 1GSA ADP 0.01293 0.42373 7.08955
63 4O1P ANP 0.0000000006489 0.70818 7.20461
64 4OAV ACP 0.00000000865 0.66865 7.20461
65 1TZD ADP 0.0109 0.4098 7.63636
66 2H92 C5P 0.006532 0.41453 7.76256
67 3LXI CAM 0.003538 0.44284 7.83582
68 4GYI ADP 0.00009512 0.50041 8.06045
69 1DZK PRZ 0.007452 0.40405 8.28025
70 5C2N NAG 0.01918 0.40701 8.33333
71 3PDT ADP 0.000181 0.48156 8.36364
72 3AXM 6PG 0.02016 0.40279 8.52713
73 3K5I ADP 0.002097 0.41363 8.93372
74 4RDN 6MD 0.01499 0.41206 8.98204
75 3VPC ADP 0.00007134 0.46396 9.21986
76 3VPB ADP 0.00003181 0.45715 9.21986
77 2YW2 ATP 0.001573 0.41696 9.32836
78 2QK4 ATP 0.0009974 0.4082 9.70149
79 3V4S ATP 0.005637 0.41144 9.81912
80 3V4S ADP 0.02234 0.40034 9.81912
81 4FLP JQ1 0.02112 0.40547 10.084
82 5IQD RIO 0.00008867 0.51578 10.1639
83 5IQD GNP 0.00008279 0.51578 10.1639
84 5VZ0 ADP 0.0004932 0.44709 11.194
85 1UI0 URA 0.01591 0.40323 11.2195
86 5M06 ADP 0.000001469 0.57694 11.2319
87 5K2M ADP 0.0002077 0.47919 11.3208
88 3Q60 ATP 0.00000447 0.54772 11.8156
89 3AVR OGA 0.01813 0.40685 11.9403
90 4G17 0VN 0.00002415 0.49327 12.1212
91 4R78 AMP 0.00007368 0.51923 12.3134
92 3WVR AMP 0.0005447 0.45973 12.3134
93 3TDV GDP 0.0001006 0.482 12.4183
94 1TQP ATP 0.00003028 0.46385 12.6866
95 4B1L FRU 0.01565 0.40466 12.7273
96 4LRJ ANP 0.00003462 0.49676 13.0178
97 4Q5H ANP 0.000009364 0.52693 13.1579
98 4ZOM 4Q3 0.04764 0.40809 13.3333
99 4IX4 ADP 0.00001567 0.52247 13.8329
100 5CKW ANP 0.00001857 0.48471 13.8329
101 3PP0 03Q 0.0000004954 0.5074 14.2012
102 1HFE CYS 0.02208 0.40329 15.4472
103 2PUL ACP 0.00001394 0.52571 15.6716
104 3VHE 42Q 0.0000004683 0.4829 15.8501
105 5DMZ ADP 0.000001361 0.56343 17.0029
106 4CPB GAL CN8 0.01395 0.41089 17.3554
107 5GZ9 ANP 0.00000001262 0.66535 17.7049
108 4CYI ATP 0.000004869 0.54487 19.0202
109 4WW7 AMP 0.000005847 0.54393 19.2513
110 5KO1 6UY 0.0000001049 0.62035 20.1413
111 1APZ ASP 0.02344 0.40017 21.9858
112 5VC5 96M 0.00000002473 0.66334 22.4914
113 3LQV ADE 0.01092 0.42166 23.0769
114 4BTK DTQ 0.0000019 0.55712 23.9193
115 3KMW ATP 0.000007447 0.53784 24.031
116 2PZI AXX 0.00008364 0.50302 25.072
117 4XH0 ADP 0.000001648 0.61558 25.3602
118 4Y0X ADP 0.000008676 0.51629 25.6484
119 5W4W 9WG 0.000005341 0.44886 25.9819
120 4KBA 1QM 0.00002256 0.44759 25.9819
121 5C03 AGS 0.0000002029 0.59946 26.3158
122 1VJY 460 0.00000001121 0.51583 26.4026
123 3FHR P4O 0.000002953 0.53719 26.4881
124 4Y85 499 0.00001557 0.52356 26.506
125 4IDT T28 0.0000004688 0.59137 26.513
126 5HCY 60D 0.0000001121 0.43751 26.5861
127 2CSN CKI 0.001426 0.47559 26.5993
128 4NFN 2KC 0.000006772 0.53968 26.8608
129 3GNI ATP 0.00000001304 0.62034 27.3775
130 4Y93 746 0.0000009716 0.50623 27.6657
131 4CLI 5P8 0.0000001412 0.65612 27.8287
132 5T8O 76Z 0.0000007788 0.55014 27.9539
133 3C1X CKK 0.00001418 0.48946 27.9539
134 4WOV 3SM 0.000005824 0.55709 28.0757
135 2R5T ANP 0.0000000661 0.58306 28.2421
136 4ASE AV9 0.000003531 0.46712 28.8184
137 1OPK P16 0.00001356 0.43345 28.8184
138 5IH9 6BF 0.000002261 0.58752 28.9552
139 5LI9 ACP 0.0000001985 0.5861 29.1066
140 5LI1 ANP 0.000000009168 0.6684 29.3948
141 4DC2 ADE 0.0000001363 0.50752 29.3948
142 5VCV 1N1 0.0000000139 0.58037 29.582
143 3VRY B43 0.000002319 0.49301 29.9712
144 3H9R TAK 0.000001504 0.60228 30
145 3M2W L8I 0.00000003521 0.60104 30.1003
146 5USZ SKE 0.00000004387 0.53917 30.1038
147 2RIO ADP 0.00000000957 0.6464 30.2594
148 4E93 GUI 0.00000002053 0.51131 30.2594
149 4I94 ANP 0.0000002283 0.58702 30.3333
150 5EOB 5QQ 0.0000009111 0.62951 30.4075
151 3V8S 0HD 0.00000002515 0.64799 30.5476
152 4FL3 ANP 0.0000001085 0.57512 30.5476
153 3LXK MI1 0.0000005303 0.50151 30.581
154 4Y8D 49J 0.0000002569 0.59499 30.8824
155 4EUU BX7 0.0000003374 0.51752 31.0345
156 4P5Z Q7M 0.00000004955 0.46923 31.1239
157 2PVF ACP 0.000000005068 0.679 31.1377
158 4BHN BH9 0.0000004308 0.56099 31.1377
159 2OO8 RAJ 0.0004711 0.42946 31.2303
160 4EWH T77 0.0000002505 0.51155 31.2727
161 4L9I 8PR 0.0000402 0.50521 31.4121
162 4WNK 453 0.000001703 0.47573 31.4121
163 1U5R ATP 0.000000857 0.42237 31.4121
164 5JGA 6KC 0.0000004478 0.47285 31.4286
165 4BKJ STI 0.00009306 0.43226 31.4286
166 3HMO STU 0.00000001388 0.6595 31.5789
167 3UIM ANP 0.0000000004564 0.71484 31.5951
168 4M69 ANP 0.00000006467 0.59617 31.6294
169 4AG8 AXI 0.000001708 0.43879 31.6456
170 1JPA ANP 0.000000004573 0.7752 31.7308
171 3ALN ANP 0.00000007123 0.59201 31.8043
172 4OH4 ANP 0.0000000003425 0.72028 31.8318
173 5LPZ ADP 0.00000000104 0.69925 31.9277
174 4WB7 ATP 0.0000004504 0.45998 31.9885
175 4K33 ACP 0.00000002667 0.64134 32
176 5U6C 7YS 0.0000000468 0.58707 32.0635
177 3TKI S25 0.00000005066 0.68957 32.1981
178 3TXO 07U 0.0000000428 0.60844 32.2767
179 5UKL SIX 0.00001186 0.54132 32.2767
180 3PVW QRX 0.000001941 0.49398 32.2767
181 2HY0 306 0.00001188 0.54263 32.2981
182 3BU5 ATP 0.000000001746 0.68945 32.3529
183 4YZN 4K5 0.000000006119 0.60863 32.4042
184 4I6H 1C8 0.00000368 0.54461 32.4675
185 2QLU ADE 0.000004307 0.59462 32.4841
186 4FF8 14S 0.0004426 0.43076 32.5077
187 3EKK GS2 0.00000006239 0.475 32.5733
188 3LXN MI1 0.000000008434 0.63041 32.7044
189 1XJD STU 0.00000001597 0.63253 32.7536
190 5HX8 66P 0.000000005363 0.57429 32.7815
191 5UIU 8CG 0.00000007895 0.64513 32.8173
192 3GQI ACP 0.00000002296 0.64069 32.8221
193 3DLS ADP 0.00000008148 0.59604 32.8358
194 3SXS PP2 0.000001855 0.53414 32.8358
195 2H8H H8H 0.0000001288 0.60805 32.853
196 2YAB AMP 0.0000002955 0.58011 32.853
197 1Y57 MPZ 0.0000000963 0.56155 32.853
198 3RI1 3RH 0.0000002289 0.61696 32.9073
199 4N70 2HX 0.0000002635 0.64912 32.9268
200 4G31 0WH 0.00001636 0.41732 33.1104
201 2QCS ANP 0.00000004789 0.64774 33.1412
202 1RE8 BD2 0.0000000595 0.6773 33.4294
203 3FHI ANP 0.00000003655 0.65305 33.4294
204 3IDB ANP 0.00000003014 0.58401 33.4294
205 5HES 032 0.0000045 0.54897 33.5505
206 4WB6 ATP 0.0000000647 0.64182 33.7176
207 4NW6 2NS 0.00000002028 0.51356 33.7461
208 5JKG 6LF 0.00002138 0.54488 33.7621
209 4GJ3 0XP 0.00000002833 0.51744 33.7748
210 3MVH WFE 0.000000007784 0.69132 33.9181
211 3CY2 MB9 0.00000005511 0.57164 34.0764
212 2GU8 796 0.00000006489 0.40561 34.1246
213 5N87 N66 0.0000000264 0.48626 34.1853
214 2Z7R STU 0.0000000008803 0.65534 34.2679
215 2X2M X2M 0.000000176 0.61145 34.3949
216 3ORK AGS 0.00000246 0.4991 34.4051
217 2WQN ADP 0.0000003822 0.61236 34.5161
218 4XV1 904 0.000000196 0.63331 34.589
219 5HVJ ANP 0.00000008738 0.68108 34.6032
220 4OTH DRN 0.00000002435 0.59878 34.6041
221 1ZY5 ANP 0.00000424 0.534 34.6535
222 5UR1 YY9 0.000001658 0.60346 34.7267
223 5TO8 7FM 0.0000003197 0.45161 34.7518
224 3PLS ANP 0.000000001624 0.70103 34.8993
225 2Y6O 1N1 0.000000791 0.53634 35.0515
226 4X7Q 3YR 0.00000008037 0.61698 35.2564
227 4E1Z 0MX 0.000001246 0.52476 35.3952
228 5LXC 7AA 0.000000001297 0.66982 35.4467
229 4XLI 1N1 0.0000005945 0.58677 35.4478
230 2ZV2 609 0.0000001508 0.64098 35.5705
231 5LPB ADP 0.0000000005553 0.75755 35.8108
232 5NKB 8ZT 0.00000007397 0.44609 35.9477
233 5FBN 5WF 0.000001608 0.59268 36.1624
234 4TWP AXI 0.0000005573 0.41195 36.1624
235 3KRR DQX 0.0000005135 0.65101 36.2712
236 5TA6 79D 0.000001291 0.48989 36.3112
237 1BYG STU 0.000000004082 0.69353 36.3309
238 4CQE CQE 0.000001701 0.52469 36.3309
239 4L3L 5FI 0.0000001302 0.63515 36.5132
240 3E8N ATP 0.0000001148 0.43577 36.6569
241 3E8N VRA 0.0000001148 0.43577 36.6569
242 5MJA 7O3 0.0000002577 0.57222 36.7213
243 4CSV STI 0.00002862 0.46683 36.7273
244 2XVD AS6 0.00000002108 0.5367 36.755
245 5JFS 6K0 0.00000004917 0.67287 37.013
246 3SLS ANP 0.00000006641 0.58312 37.1711
247 1U59 STU 0.00000006488 0.62103 37.6307
248 4YLL 4E3 0.000000137 0.61914 37.7522
249 2HK5 1BM 0.000000309 0.59771 37.7778
250 4JDI ANP 0.00000001713 0.6182 37.8613
251 5UOX 8GY 0.0000003419 0.55436 38.0074
252 4D2S DYK 0.0000009581 0.59371 38.0282
253 4C2V YJA 0.000006205 0.46153 38.2456
254 2A19 ANP 0.00000004114 0.668 38.3803
255 2OFV 242 0.0000001182 0.46777 38.6282
256 3NW7 LGV 0.00000929 0.57176 38.7622
257 3HZT J60 0.000004793 0.56904 38.9049
258 5CEO 50D 0.0000004322 0.58514 39
259 4WNP 3RJ 0.000000006574 0.69479 39.0244
260 4C2W ANP 0.000000002116 0.63691 39.0681
261 5X8I SQZ 0.0000000007162 0.70631 39.5954
262 3KRL KRL 0.000002694 0.51859 39.7015
263 3SRV S19 0.000000001143 0.68468 39.7112
264 4YZC STU 0.00000003312 0.67535 39.7695
265 4USF 6UI 0.00002006 0.52473 39.8026
266 5EYK 5U5 0.000005364 0.47256 39.8551
267 4U0I 0LI 0.00001174 0.43125 40
268 3G5D 1N1 0.0000001074 0.6763 40.2098
269 4F4P 0SB 0.000001627 0.62178 40.293
270 3KN5 ANP 0.0000001191 0.58136 40.3077
271 3C0G 3AM 0.000000005391 0.69882 40.3458
272 4JR7 GNP 0.0000000349 0.63277 40.6417
273 2V7O DRN 0.00000001046 0.59668 40.7738
274 4AT3 LTI 0.0000009113 0.47649 40.8027
275 5DBX ANP 0.0000003185 0.56009 40.8537
276 4BFM ANP 0.00000001191 0.62441 41.018
277 4YMJ 4EJ 0.00000002031 0.71414 41.1184
278 4F9C 0SX 0.00000005351 0.61524 41.4986
279 2WU6 DKI 0.0000000006964 0.64216 41.7867
280 1K3A ACP 0.000000004702 0.70159 41.806
281 2WEL K88 0.000001138 0.49742 41.896
282 4A4X JUP 0.0000003344 0.51812 41.9355
283 3GC8 B45 0.00000007242 0.5755 42.0749
284 5JZJ AN2 0.000000007021 0.67269 42.0875
285 2VZ6 FEF 0.0000007108 0.59977 42.1725
286 4FG8 ATP 0.000001309 0.57004 42.2222
287 3SXF BK5 0.00001631 0.4269 42.3631
288 4U44 3D9 0.0000009623 0.56999 42.4699
289 2F57 23D 0.000004532 0.55461 42.5868
290 5MY8 RXZ 0.0000001677 0.5331 42.6513
291 5AX9 4KT 0.00000008244 0.6165 42.8571
292 2XK9 XK9 0.001279 0.48942 42.8571
293 1Q8Y ADP 0.000000005931 0.67346 43.5159
294 1Q8Y ADE 0.00000007133 0.56519 43.5159
295 3IGO ANP 0.0000006403 0.54377 43.5159
296 1PHK ATP 0.0000000002704 0.72879 43.6242
297 5AWM ANP 0.000000002916 0.72305 43.804
298 3GGF GVD 0.0000001745 0.61913 44.186
299 4QMN DB8 0.0000003026 0.46182 44.1936
300 5H2U 1N1 0.000005822 0.53593 44.1948
301 2X4Z X4Z 0.000003329 0.44367 44.2568
302 4IJP 1EH 0.000000003381 0.68423 44.3804
303 3TTI KBI 0.000000009723 0.55446 44.3804
304 5DA3 58V 0.0000001301 0.64406 44.5283
305 2YAK OSV 0.0000001361 0.50465 44.9123
306 4IZY 1J2 0.0000001399 0.57857 44.9568
307 3E7O 35F 0.000005453 0.43406 44.9568
308 4KS7 X4Z 0.0000003825 0.54286 45.2055
309 4UX9 ANP 0.000000002818 0.64845 45.245
310 5LVP ATP 0.00000002761 0.60641 45.3376
311 2VN9 GVD 0.00000006882 0.56469 45.5149
312 3DAK ANP 0.0000001426 0.62313 45.5172
313 3F7Z 34O 0.00000007947 0.61719 45.5331
314 3ZRM ZRM 0.0000001758 0.60217 45.5331
315 4NM5 ADP 0.00000002942 0.58159 45.5331
316 3PTG 932 0.0000002056 0.54776 45.5331
317 5EKO N17 0.00002069 0.5219 45.5331
318 2JLD AG1 0.0000001244 0.4861 45.5331
319 5DH3 5BS 0.00000143 0.5406 45.7143
320 1CM8 ANP 0.0000002476 0.58585 45.8213
321 1OUK 084 0.000004077 0.631 46.1095
322 4LOO SB4 0.000001936 0.55677 46.1095
323 4H3Q ANP 0.00000000009215 0.7607 46.6859
324 2PVN P63 0.00000001712 0.53993 46.875
325 4H3P ANP 0.00000000006693 0.75117 46.9741
326 5LXM ADP 0.000000007863 0.6705 46.9965
327 3OFM 4B0 0.00000004646 0.59289 47.1429
328 3PE2 E1B 0.0000006793 0.62642 47.7745
329 5EW9 5VC 0.0000673 0.56739 47.9705
330 5A6N U7E 0.0000004201 0.58882 48.4099
331 4QTB 38Z 0.00000000047 0.74453 48.415
332 5L8L ADP 0.0000000154 0.68844 48.4211
333 5G1X ADP 0.00000002015 0.65229 48.4211
334 5BYZ 4WE 0.0000001567 0.49595 49.2795
Pocket No.: 2; Query (leader) PDB : 5EFQ; Ligand: ADP; Similar sites found: 15
This union binding pocket(no: 2) in the query (biounit: 5efq.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4BHL ARG 0.01773 0.40065 2.88184
2 5T96 79J 0.02659 0.40425 2.98507
3 3KIH GDL 0.01534 0.40955 4.12371
4 4EUO ABU 0.01307 0.40551 4.47761
5 5A5W GUO 0.01399 0.41506 5.13834
6 4ZBY URA 0.01016 0.42076 6.70103
7 5FJN BE2 0.03297 0.40141 7.08955
8 5FJN FAD 0.03051 0.40141 7.08955
9 4ARE FLC 0.001135 0.46487 8.58209
10 4HKP 16B 0.00778 0.40158 8.97436
11 5L8N 6RQ 0.01823 0.40551 9.375
12 4JX1 CAH 0.007497 0.40402 13.2743
13 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.00000004733 0.40091 33.0409
14 2JDR L20 0.00000004733 0.40091 33.0409
15 5BVE 4VG 0.000000004541 0.40126 47.2622
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