-->
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 117 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 91 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 60 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: 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 : 5DMZ; Ligand: ADP; Similar sites found with APoc: 448
This union binding pocket(no: 1) in the query (biounit: 5dmz.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4OYA 1VE 1.36986
2 5EQY 5RA 1.36986
3 3QWB NDP 1.49701
4 4OCV ANP 1.64384
5 5MRH Q9Z 1.64384
6 3VSV XYP 1.64384
7 4WOE ADP 1.64384
8 5L6G XYP 1.64384
9 1HSR BHO 1.74419
10 4NZN 2OU 1.81818
11 4NZN ANP 1.81818
12 3LXK MI1 1.83486
13 2ZYI STE 1.91781
14 3WXL ADP 1.91781
15 2D3N GLC GLC GLC 1.91781
16 4R78 AMP 1.94175
17 5ZCT ANP 1.96078
18 4XYM A12 2.17391
19 5MW8 ATP 2.19178
20 6FL8 ADP 2.19178
21 6FL8 TIY 2.19178
22 3WVR AMP 2.19178
23 5G48 1FL 2.19178
24 3KAL ADP 2.19178
25 2Z3U CRR 2.19178
26 4IP7 FLC 2.19178
27 1E8G FAD 2.19178
28 5M90 JIF 2.19178
29 1E8G FCR 2.19178
30 3K5I ADP 2.19178
31 4Z87 GDP 2.19178
32 2XGT NSS 2.19178
33 3ETH ATP 2.25352
34 5NII FAD 2.26537
35 6CGD GNP 2.29508
36 6CGD AKN 2.29508
37 4WUP 3UF 2.30769
38 4P25 FUC GAL NAG FUC 2.31788
39 5WNL STU 2.33918
40 3I0O ADP 2.35988
41 4YCA NDP 2.38095
42 1CER NAD 2.41692
43 2PUL ACP 2.46575
44 3TII ANP 2.46575
45 3BEO UDP 2.46575
46 5K8P 6R8 2.46575
47 4U8P UDP 2.46575
48 5OES ADP 2.46575
49 4KCT PYR 2.46575
50 5KJW 53C 2.46575
51 5AHS SIN 2.46575
52 1F52 ADP 2.46575
53 2ZXI FAD 2.46575
54 5TDF ADP 2.46914
55 1P6O HPY 2.48447
56 2CDO GAL AAL GAL AAL GAL AAL 2.5
57 6GWR FEW 2.53968
58 3UDG TMP 2.65781
59 5HCY 60D 2.71903
60 1W1A NDG 2.72374
61 6C1S EFV 2.73973
62 3DNT ATP 2.73973
63 5YK1 ANP 2.73973
64 1M0W ANP 2.73973
65 2HGS ADP 2.73973
66 2YW2 ATP 2.73973
67 1CT9 GLN 2.73973
68 2AQX ATP 2.76817
69 1T3D CYS 2.76817
70 4O4F IHP 2.82258
71 4O4F ATP 2.82258
72 2Z77 NCA 2.8777
73 2E5A LAQ 2.88184
74 3HAV ATP 3.01003
75 3GNI ATP 3.0137
76 4PU5 ANP 3.0137
77 2VPQ ANP 3.0137
78 2YFO GAL 3.0137
79 2YFO GLA 3.0137
80 5ENZ UDP 3.0137
81 4J1Q NDP 3.0137
82 1H82 FAD 3.0137
83 1H82 GZZ 3.0137
84 2IF8 ADP 3.0303
85 3NZ1 3NY 3.06513
86 4G05 JZ3 3.15457
87 2H92 C5P 3.19635
88 5EJL C2E 3.22581
89 1YRO UDP 3.25203
90 4O1P ANP 3.28767
91 5AE9 OKO 3.28767
92 5DZT AMP 3.28767
93 1UWK NAD 3.28767
94 1UWK URO 3.28767
95 2XN2 GLA 3.28767
96 3WO0 ADP 3.28767
97 3WO0 ALA 3.28767
98 1F0X FAD 3.28767
99 5G5G FAD 3.28767
100 1CEB AMH 3.40909
101 1GSA ADP 3.48101
102 1I7L ATP 3.55987
103 3X01 AMP 3.56164
104 2QK4 ATP 3.56164
105 4XFR CIT 3.56164
106 4TVD BGC 3.56164
107 4OKD GLC GLC GLC 3.57143
108 4WAS NAP 3.57143
109 1IOW ADP 3.59477
110 1IOW PHY 3.59477
111 1P19 IMP 3.61991
112 2XG5 EC5 3.66972
113 2XG5 EC2 3.66972
114 5WBF LAC 3.7037
115 1FWV SGA MAG FUC 3.73134
116 3MF2 AMP 3.75723
117 3KIF GDL 3.77358
118 5QIN J2V 3.79747
119 3E85 BSU 3.79747
120 4OAV ACP 3.83562
121 4E93 GUI 3.83562
122 2IO8 ADP 3.83562
123 2VQD AP2 3.83562
124 1GAD NAD 3.93939
125 3SRV S19 3.97112
126 4UXL 5P8 4.03727
127 3D91 REM 4.10557
128 3UDZ ADP 4.10959
129 2PYW ADP 4.10959
130 1CM8 ANP 4.10959
131 5VZ0 ADP 4.10959
132 3TM0 B31 4.18251
133 3TM0 ANP 4.18251
134 5MJA 7O3 4.2623
135 3VPD ANP 4.27046
136 4CLI 5P8 4.28135
137 1ONI BEZ 4.34783
138 4DFU QUE 4.34783
139 1Q8O MAN MMA 4.36508
140 2RDE C2E 4.38247
141 1YVZ JPC 4.38356
142 2CJA ATP 4.38356
143 2YRX AMP 4.38356
144 3ORQ ADP 4.38356
145 5U6C 7YS 4.44444
146 5C1P ADP 4.57516
147 5TV6 PML 4.58333
148 3H0L ADP 4.60251
149 3NOJ PYR 4.62185
150 3TTI KBI 4.65753
151 4WHZ 3NL 4.65753
152 1OUK 084 4.65753
153 4AZW ATP 4.65753
154 3C1X CKK 4.65753
155 3VOT ADP 4.65753
156 2Z3Y F2N 4.65753
157 1RM6 FAD 4.65753
158 4UX9 ANP 4.67033
159 3PTG 932 4.6832
160 4LOO SB4 4.70914
161 2CHT TSA 4.72441
162 3PDT ADP 4.72727
163 1TZD ADP 4.72727
164 1W2D ADP 4.90566
165 1W2D 4IP 4.90566
166 4U98 ACP 4.93151
167 6A5K SAM 4.93151
168 5LRT ADP 4.93151
169 3ZXR P3S 4.93151
170 3ZXR IQ1 4.93151
171 3VPC ADP 4.96454
172 1BYG STU 5.03597
173 3RI1 3RH 5.11182
174 4F4P 0SB 5.12821
175 4CYI ATP 5.20548
176 4OCJ NDG 5.20548
177 4B2Z P5S 5.20548
178 2BMB PMM 5.20548
179 4GID 0GH 5.20548
180 5WO4 B7V 5.29801
181 5IGI ZIT 5.31561
182 5IGI GMP 5.31561
183 2OG7 SIN 5.32213
184 6CZI 38E 5.35714
185 3BZ3 YAM 5.43478
186 5JKG 6LF 5.46624
187 5I35 ANP 5.47945
188 6GN6 GLC 5.47945
189 5NM7 GLY 5.6391
190 6GIN IR2 5.64784
191 5K2M ADP 5.66038
192 1IA9 ANP 5.71429
193 3W0O ADP 5.73066
194 3W0O HY0 5.73066
195 1EP2 FMN 5.74713
196 5OLK DTP 5.75342
197 4ZOH FAD 5.7554
198 3VHE 42Q 5.84958
199 3TDV GDP 5.88235
200 4FE2 ADP 5.88235
201 5A5W GUO 5.92885
202 4CC6 L5Y 5.97484
203 4RFM 3P6 6.01504
204 4GYI ADP 6.0274
205 5MY8 RXZ 6.0274
206 5IM3 DTP 6.0274
207 4WA2 SIA GAL NAG 6.0274
208 3SM2 478 6.06061
209 5NKB 8ZT 6.20915
210 4P5Z Q7M 6.30137
211 1YFS ALA 6.30137
212 2V58 LZJ 6.30137
213 5CQG 55C 6.30137
214 3HMO STU 6.43275
215 1G4U AF3 6.52174
216 5XQL C2E 6.52921
217 3ZJX BOG 6.57439
218 4XH0 ADP 6.57534
219 4RF7 ARG 6.57534
220 4MOP 2H5 6.57534
221 2PYY GLU 6.57895
222 5LJB RTL 6.66667
223 4IDT T28 6.74157
224 4H2W AMP 6.79612
225 4H2W 5GP 6.79612
226 4H2X G5A 6.79612
227 1FQK ALF 6.80272
228 1HE1 AF3 6.81818
229 6C7Y ADP 6.83761
230 5FPE 3TR 6.84932
231 5TT6 ATP 6.84932
232 4KBA 1QM 6.94864
233 5N87 N66 7.02875
234 2XMY CDK 7.04698
235 4YZC STU 7.12329
236 2R7K ACP 7.20222
237 2R7K AMZ 7.20222
238 4L4J NAG NAG BMA MAN NAG 7.23982
239 5OKT 9XK 7.32484
240 1SDW IYT 7.32484
241 5C9P FUC 7.39726
242 1N62 FAD 7.39726
243 2CSN CKI 7.40741
244 5VX9 FUC GAL NAG GAL BGC 7.45342
245 5X8I SQZ 7.51445
246 6ES0 BW8 7.57098
247 4WW7 AMP 7.66284
248 6G33 5ID 7.66962
249 2JLD AG1 7.67123
250 5IDB MAN 7.74648
251 5IDB BMA 7.74648
252 1PK8 ATP 7.81991
253 4ZVV GN0 7.83133
254 4ZVV NAD 7.83133
255 1UNH IXM 7.87671
256 5WL1 D3D 8.08081
257 5WL1 CUY 8.08081
258 5U98 1KX 8.08081
259 4AU8 Z3R 8.10811
260 3HQP OXL 8.21918
261 4K33 ACP 8.61539
262 5C4L SIS 8.72274
263 5C4L 4XR 8.72274
264 5CKW ANP 8.76712
265 5T96 79J 8.77193
266 2BS5 BGC GAL FUC 8.88889
267 1T36 ORN 9.0411
268 5EXK 5AD 9.06344
269 6FYV 3NG 9.19881
270 1RM4 NDP 9.19881
271 6GUE FB8 9.32836
272 2BPM 529 9.43396
273 1OBD ATP 9.47712
274 4CFU 2WC 9.54198
275 4BCN T9N 9.54198
276 4BCQ TJF 9.54198
277 4BCM T7Z 9.54198
278 2QLU ADE 9.55414
279 5IH1 GDP 9.60265
280 5IH1 6BQ 9.60265
281 1ZTH ADP 9.68992
282 1ZP9 ATP 9.68992
283 5LMK 6ZK 9.68992
284 3PLS ANP 9.73154
285 1U59 STU 9.7561
286 2A19 ANP 9.85915
287 2PVF ACP 9.88024
288 2Y6O 1N1 9.96564
289 2BKK ADP 10.0592
290 2GQS ADP 10.1266
291 2GQR ADP 10.1266
292 2GQS C2R 10.1266
293 4UWH JXM 10.137
294 5N1X 8HH 10.1695
295 1AUX AGS 10.6109
296 1CBK ROI 10.625
297 4Y93 746 10.6849
298 3O0G 3O0 10.7383
299 4ZS4 ATP 10.9589
300 5Y4R C2E 11.0345
301 3TXO 07U 11.6147
302 5KO1 6UY 11.6608
303 5GZ9 ANP 11.8033
304 3NW7 LGV 12.0521
305 1Y7I SAL 12.3134
306 1K3A ACP 12.3746
307 1TQP ATP 12.766
308 6CMJ F6J 12.7726
309 3SAO DBH 13.125
310 4QTB 38Z 13.1507
311 4WB7 ATP 13.4247
312 3SXS PP2 13.4328
313 3FHI ANP 13.7143
314 4AVV CD 13.7255
315 1VKF CIT 13.8298
316 2GTF P1R 13.8889
317 4IZY 1J2 13.9726
318 4DC2 ADE 13.9726
319 2V7O DRN 13.9881
320 2QCS ANP 14
321 3IDB ANP 14
322 4IX4 ADP 14
323 1RE8 BD2 14
324 2WEL K88 14.0673
325 2ZV2 609 14.094
326 2NGR AF3 14.1361
327 4WB6 ATP 14.2857
328 2VZ6 FEF 14.377
329 5LI1 ANP 14.4068
330 4WNK 453 14.5205
331 2GU8 796 14.5401
332 5LI9 ACP 14.5714
333 5DBX ANP 14.6341
334 5LXT ACP 14.6853
335 4CRL C1I 15.2709
336 2VN9 GVD 15.2824
337 1XVB BHL 15.2941
338 5T8O 76Z 15.4728
339 4OTH DRN 15.5425
340 3E7O 35F 15.8333
341 2F2U M77 16.1644
342 3KMW ATP 16.2791
343 5CEO 50D 16.3333
344 4FL3 ANP 16.4384
345 5FBN 5WF 16.6052
346 4H3P ANP 16.6667
347 4NST ADP 16.8091
348 3PP0 03Q 16.8639
349 5EFQ ADP 17.0029
350 4BTK DTQ 17.2107
351 5C03 AGS 17.2515
352 4H3Q ANP 17.2603
353 5AWM ANP 17.2603
354 3VRY B43 17.2603
355 6C0T EE4 17.2911
356 3LXN MI1 17.2956
357 3H9R TAK 17.4312
358 5LPZ ADP 17.4699
359 1U5R ATP 17.5287
360 4NM5 ADP 17.5342
361 3ZRM ZRM 17.5342
362 3ALN ANP 17.737
363 4PNI KQQ 17.8253
364 2B9I ADP 17.847
365 2B9J ADP 17.847
366 2B9F ADP 17.847
367 2B9H ADP 17.847
368 5EOB 5QQ 17.8683
369 4E1Z 0MX 17.8694
370 1O9U ADZ 18
371 4GJ3 0XP 18.2119
372 5EH0 5NW 18.2171
373 5HES 032 18.241
374 3F7Z 34O 18.2857
375 5Y86 HRM 18.3562
376 3GC8 B45 18.3562
377 3GQI ACP 18.4049
378 4ASE AV9 18.4136
379 3GC0 AMP 18.541
380 4WOV 3SM 18.612
381 1OPK P16 18.6301
382 3E8N VRA 18.7683
383 3E8N ATP 18.7683
384 6GQM F8H 19.2073
385 5UR1 YY9 19.2926
386 2H8H H8H 19.4521
387 2F57 23D 19.5584
388 5LPB ADP 19.5946
389 1Y57 MPZ 19.726
390 4L9I 8PR 19.8413
391 5HQ0 LZ9 19.8675
392 6GU6 1QK 19.8675
393 5BWD FUM 20
394 4XMF HSM 20.1087
395 1PHK ATP 20.1342
396 4EWH T77 20.3636
397 4AG8 AXI 20.5696
398 3G5D 1N1 20.6294
399 3SLS ANP 20.7237
400 5VC5 96M 20.7612
401 5JFS 6K0 21.1039
402 1VJY 460 21.1221
403 2X2M X2M 21.3376
404 4YMJ 4EJ 21.3816
405 3VPB ADP 21.4286
406 3UIM ANP 21.4724
407 5JGA 6KC 21.9048
408 4AT3 LTI 22.408
409 3EKK GS2 22.4756
410 2XVD AS6 22.5166
411 1IR3 ANP 22.549
412 4QMN DB8 22.9032
413 2HK5 1BM 23.3333
414 3PVW QRX 23.5616
415 5TO8 7FM 23.7589
416 5UKL SIX 23.8356
417 2WU6 DKI 23.8845
418 3B1J NAD 24
419 5BVE 4VG 24.0997
420 3HZT J60 24.3836
421 5H2U 1N1 24.7191
422 4CSV STI 24.7273
423 6FYL 3NG 24.7934
424 4BHN BH9 24.8503
425 3IGO ANP 25.2055
426 5ZTN CUR 25.2055
427 6CZ3 FLJ 25.3788
428 2OFV 242 25.6318
429 3KRL KRL 25.6716
430 4ONA UW1 25.7534
431 4AUA 4AU 26.0586
432 4U0I 0LI 27.3016
433 3BU5 ATP 27.7778
434 1XJD STU 27.8261
435 4Y85 499 28.012
436 4H2V AMP 28.1818
437 6E2O S0L 28.4746
438 5TA6 79D 29.3296
439 4I6H 1C8 30.1948
440 1V0O INR 30.5556
441 1ZY5 ANP 31.0231
442 4FG8 ATP 31.1111
443 6A1G 9OL 31.1111
444 3FC2 IBI 31.3433
445 2WEI VGG 31.7073
446 5USZ SKE 31.8339
447 4Q5H ANP 35.6322
448 4TWP AXI 41.3284
Pocket No.: 2; Query (leader) PDB : 5DMZ; Ligand: ADP; Similar sites found with APoc: 45
This union binding pocket(no: 2) in the query (biounit: 5dmz.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1X54 4AD 1.64384
2 5UR0 NAD 1.7192
3 1Z2P ACP 1.85185
4 1Z2P I3S 1.85185
5 1J78 OLA 1.91781
6 1RM0 NAI 1.91781
7 4Z0H NAD 2.09581
8 3CIF NAD 2.50696
9 1MJT ITU 2.59366
10 1CKN GTP 2.72727
11 3NEM AMO 2.73973
12 1RZM E4P 2.95858
13 5JY6 NAD 3.08989
14 5FI4 5XV 3.09598
15 1T3Q FAD 3.28767
16 3N9P OGA 3.28767
17 1J0X NAD 3.31325
18 5XLS URA 3.56164
19 3HAD NAD 3.57143
20 1OPB RET 3.73134
21 2VYN NAD 3.92749
22 6AM8 TRP 4.10959
23 2AG4 OLA 4.26829
24 2AG4 LP3 4.26829
25 3A5Z KAA 4.26829
26 2AUY NAG MAN MMA 4.36508
27 1KYQ NAD 4.37956
28 1Z03 OCH 5.20548
29 2Q7D ANP 5.49133
30 4FE2 AIR 5.88235
31 4M51 BEZ 6.0274
32 2G50 PYR 6.57534
33 3QV1 NAD 7.4184
34 1YUC EPH 7.84314
35 2CFM AMP 7.94521
36 3V1Y NAD 8.01187
37 1BW9 NAD 8.70786
38 1P77 ATR 8.82353
39 1T36 ADP 9.0411
40 5C9J DAO 11.032
41 2W5P CL8 11.4094
42 2GJ3 FAD 12.5
43 1XVB BHL BHL 15.2941
44 4QYN RTL 22.5564
45 5EKO N17 26.5753
APoc FAQ
Feedback