Receptor
PDB id Resolution Class Description Source Keywords
3DRB 2 Å EC: 2.7.3.2 CRYSTAL STRUCTURE OF HUMAN BRAIN-TYPE CREATINE KINASE HOMO SAPIENS HUMAN CREATINE KINASE MGADP ATP-BINDING CYTOPLASM KINASE NUCLEOTIDE-BINDING PHOSPHOPROTEIN POLYMORPHISM TRANSFERASE
Ref.: STRUCTURAL STUDIES OF HUMAN BRAIN-TYPE CREATINE KINASE COMPLEXED WITH THE ADP-MG2+-NO3- -CREATINE TRANSITION-STATE ANALOGUE COMPLEX FEBS LETT. V. 582 3959 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP B:400;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG B:500;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3B6R 2 Å EC: 2.7.3.2 CRYSTAL STRUCTURE OF HUMAN BRAIN-TYPE CREATINE KINASE HOMO SAPIENS BRAIN TYPE DIMERIC ATP-BINDING CYTOPLASM KINASE NUCLEOTIDE-BINDING PHOSPHORYLATION POLYMORPHISM TRANSFERASE
Ref.: STRUCTURAL STUDIES OF HUMAN BRAIN-TYPE CREATINE KINASE COMPLEXED WITH THE ADP-MG2+-NO3- -CREATINE TRANSITION-STATE ANALOGUE COMPLEX FEBS LETT. V. 582 3959 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3B6R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 3DRB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1VRP - IOM C4 H11 N3 O2 CN(CC(=O)O....
2 3B6R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3DRB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 1U6R - IOM C4 H11 N3 O2 CN(CC(=O)O....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3JQ3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 1VRP - IOM C4 H11 N3 O2 CN(CC(=O)O....
3 3B6R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 3DRB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 4BHL - ARG C6 H15 N4 O2 C(C[C@@H](....
6 1U6R - IOM C4 H11 N3 O2 CN(CC(=O)O....
7 1BG0 - DAR C6 H15 N4 O2 C(C[C@H](C....
8 1M15 - ARG C6 H15 N4 O2 C(C[C@@H](....
9 5J99 - ARG C6 H15 N4 O2 C(C[C@@H](....
10 1P52 - DAR C6 H15 N4 O2 C(C[C@H](C....
11 1RL9 - IOM C4 H11 N3 O2 CN(CC(=O)O....
12 4GW2 - ORN C5 H12 N2 O2 C(C[C@@H](....
13 1SD0 - ARG C6 H15 N4 O2 C(C[C@@H](....
14 4GW0 - ILO C7 H15 N3 O2 CC(=N)NCCC....
15 5J9A - ARG C6 H15 N4 O2 C(C[C@@H](....
16 4GVY - CIR C6 H13 N3 O3 C(C[C@@H](....
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 : 3B6R; Ligand: CRN; Similar sites found: 151
This union binding pocket(no: 1) in the query (biounit: 3b6r.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1XS1 DUT 0.03395 0.40156 1.03627
2 3SLS ANP 0.0004598 0.46245 1.31579
3 3GDN FAD 0.02837 0.42113 1.5748
4 2IV2 2MD 0.03605 0.41072 1.5748
5 3BU5 ATP 0.00129 0.43065 1.63399
6 1X9I G6Q 0.01945 0.40943 1.65563
7 1U59 STU 0.004798 0.42415 1.74216
8 4D2S DYK 0.0003637 0.45801 1.76056
9 1NY5 ADP 0.009878 0.42418 1.83727
10 2I4O ATP 0.008241 0.40589 1.83727
11 1KOJ PAN 0.02424 0.40214 1.83727
12 3ZRM ZRM 0.007038 0.40529 1.88679
13 3F7Z 34O 0.007357 0.42333 2
14 3GNI ATP 0.001483 0.41583 2.05279
15 4QTB 38Z 0.003026 0.41468 2.10526
16 3GXA MET 0.004046 0.42597 2.18182
17 3E7O 35F 0.0004424 0.48377 2.22222
18 3HMO STU 0.001642 0.43077 2.33918
19 3E8N ATP 0.0006093 0.47385 2.34604
20 1SJN DUP 0.002283 0.45527 2.35294
21 2ZFN ACO 0.03238 0.40107 2.3622
22 2C1Q BTN 0.008545 0.43601 2.38095
23 1CTU ZEB 0.007326 0.40045 2.38095
24 2PVF ACP 0.0002092 0.50466 2.39521
25 3IR1 MET 0.001956 0.45613 2.44898
26 4K3P ACE GLN LEU ALA LEU PHE 0.02183 0.41621 2.45902
27 3RI1 3RH 0.003804 0.42771 2.55591
28 5UR1 YY9 0.01555 0.40902 2.57235
29 1U5R ATP 0.007505 0.4006 2.58621
30 2FAR DTP 0.004824 0.44531 2.589
31 4ITU 1HS 0.02072 0.427 2.60223
32 4CYD CMP 0.01321 0.41803 2.66667
33 3C1X CKK 0.001447 0.43231 2.68097
34 4AU8 Z3R 0.001361 0.45067 2.7027
35 1NV8 SAM 0.01806 0.42284 2.8169
36 1NV8 MEQ 0.01725 0.42284 2.8169
37 3CU0 UDP 0.01835 0.4136 2.84698
38 1R9J TPP 0.004306 0.46392 2.88714
39 4FL3 ANP 0.004317 0.4359 2.88714
40 2CFM AMP 0.008087 0.43248 2.88714
41 1USR SIA WIA 0.01552 0.41015 2.88714
42 2C4I BTN 0.01485 0.41135 2.95203
43 2IRY DGT 0.01664 0.40773 2.9703
44 4B74 1LH 0.01439 0.40279 3.003
45 3GC0 AMP 0.01107 0.41034 3.03951
46 3GRU AMP 0.002519 0.45661 3.05085
47 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.009715 0.41863 3.06122
48 1VA6 P2S 0.02348 0.40276 3.14961
49 2WW4 ADP 0.003014 0.44208 3.18021
50 1OJ4 ANP 0.009074 0.40828 3.18021
51 5TO8 7FM 0.007486 0.44456 3.19149
52 2OFV 242 0.006179 0.44135 3.2491
53 5EW9 5VC 0.01023 0.43536 3.32103
54 3LXK MI1 0.008676 0.40191 3.36391
55 4IDT T28 0.002336 0.42914 3.37079
56 3K56 IS3 0.01165 0.4316 3.38346
57 2R5N RP5 0.005339 0.47204 3.41207
58 3HAZ FAD 0.02791 0.43059 3.41207
59 2R5N R5P 0.01403 0.42738 3.41207
60 2R5N TPP 0.02284 0.41834 3.41207
61 1J39 UPG 0.01479 0.43504 3.4188
62 4B0H DUR 0.03517 0.42136 3.47222
63 3LXN MI1 0.0008714 0.43746 3.77358
64 3Q60 ATP 0.005425 0.4004 3.77358
65 4BKJ STI 0.007095 0.417 3.80952
66 1PI5 SM2 0.03928 0.41014 3.91061
67 4O1P ANP 0.0005378 0.45313 3.93701
68 2JLD AG1 0.00765 0.41208 3.93701
69 1Y57 MPZ 0.008412 0.40872 3.93701
70 3GQI ACP 0.0003966 0.47977 3.9823
71 1YRE COA 0.01092 0.40946 4.06091
72 1DJN FMN 0.008849 0.41028 4.19948
73 1LH0 ORO 0.02803 0.40438 4.22535
74 3QDL FMN 0.04163 0.40969 4.28571
75 4K33 ACP 0.0004123 0.48396 4.30769
76 1UU6 BGC BGC BGC BGC 0.0217 0.41582 4.46429
77 4KM2 ATR 0.02385 0.42718 4.46927
78 4KM2 TOP 0.02491 0.42718 4.46927
79 5AX9 4KT 0.004484 0.40536 4.54545
80 3NW7 LGV 0.005336 0.41747 4.56026
81 5DBX ANP 0.002236 0.4152 4.57317
82 3SRV S19 0.008908 0.40482 4.69314
83 4MFZ MFK 0.01088 0.42455 4.71976
84 2RC5 FAD 0.0336 0.40192 4.77707
85 4JWH SAH 0.02713 0.41846 4.79233
86 4FJU GLV 0.01144 0.4201 4.8433
87 3G6K FAD 0.03898 0.41635 4.87013
88 3G6K POP 0.04228 0.41635 4.87013
89 4P86 5GP 0.008903 0.41884 4.91803
90 3PTG 932 0.0007414 0.44434 4.95868
91 5IH9 6BF 0.01264 0.41687 5.07463
92 3MB5 SAM 0.04552 0.40195 5.09804
93 2B9J ADP 0.004683 0.40942 5.09915
94 2FXV 5GP 0.009574 0.40953 5.15464
95 3FUU ADN 0.03276 0.40872 5.16605
96 4KCF AKM 0.0135 0.40584 5.24934
97 1VJY 460 0.01692 0.40704 5.28053
98 2W5P CL8 0.01223 0.41139 5.36913
99 3P8N L4T 0.006226 0.44308 5.37634
100 1JJE BYS 0.007284 0.42521 5.40541
101 3ZMR GLO BGC BGC XYS BGC XYS XYS 0.006351 0.44581 5.47368
102 4AUA 4AU 0.0002822 0.46447 5.53746
103 1BWO LPC 0.002582 0.44355 5.55556
104 3TKI S25 0.00858 0.40937 5.57276
105 3PP0 03Q 0.001669 0.43697 5.6213
106 1HFS L04 0.01009 0.43474 5.625
107 2H88 TEO 0.01576 0.40821 5.71429
108 4OAV ACP 0.0008869 0.42883 6.03675
109 1ZPR CB3 0.02933 0.40889 6.06061
110 4ISK 1JY 0.01348 0.40748 6.06061
111 1OVD ORO 0.01254 0.43555 6.10932
112 1OVD FMN 0.01254 0.43555 6.10932
113 2IVF MD1 0.03844 0.41948 6.29921
114 5JZJ AN2 0.002908 0.40714 6.39731
115 3JYN NDP 0.008491 0.40012 6.76923
116 4MA6 28E 0.001267 0.42795 7.00637
117 5ECP ATP 0.02517 0.41308 7.17489
118 5ECP JAA 0.02368 0.41308 7.17489
119 5ECP MET 0.02368 0.41308 7.17489
120 5H5J FAD 0.02942 0.40842 7.2165
121 1TPY SAH 0.01235 0.40598 7.31707
122 4QGE 35O 0.02117 0.40153 7.34908
123 3TE4 ACO 0.006436 0.42529 7.44186
124 3HY3 10F 0.003239 0.44247 7.88177
125 1KPG SAH 0.01295 0.40451 8.36237
126 2AF6 BRU 0.01763 0.40563 8.52713
127 2R40 20E 0.01746 0.42726 9.12547
128 1WK8 VMS 0.02004 0.41663 9.27835
129 3DLS ADP 0.004525 0.42225 9.55224
130 5LVP ATP 0.001632 0.42148 9.6463
131 3B2Q ATP 0.01961 0.43172 9.97375
132 1VPD TLA 0.005447 0.42078 10.0334
133 5TT5 NAD 0.006253 0.43416 10.4987
134 1L1Q 9DA 0.0209 0.41099 10.7527
135 3F8K COA 0.01661 0.40569 11.25
136 4FG8 ATP 0.005675 0.42097 11.746
137 2CHT TSA 0.003981 0.44057 11.811
138 1EFV AMP 0.001049 0.50967 12.1569
139 1EFV FAD 0.001427 0.50473 12.1569
140 5LMK 6ZK 0.003677 0.40823 12.4031
141 1V0O INR 0.0004453 0.46059 13.1944
142 4C2W ANP 0.000681 0.43733 13.4615
143 2X61 NGA GAL SIA 0.01203 0.41252 14.3411
144 1KHZ ADV 0.01416 0.42264 14.3541
145 3H9R TAK 0.006859 0.40059 14.6789
146 2RIO ADP 0.0001596 0.5013 15.748
147 5BSH PRO 0.02492 0.40919 15.8845
148 4C2V YJA 0.001691 0.44071 15.9091
149 4M8E 29V 0.007993 0.42257 16.0173
150 4POJ 2VP 0.008497 0.40837 16.0173
151 1S68 AMP 0.002144 0.41379 21.2851
Pocket No.: 2; Query (leader) PDB : 3B6R; Ligand: ADP; Similar sites found: 148
This union binding pocket(no: 2) in the query (biounit: 3b6r.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1S4M LUM 0.009686 0.41217 1.36519
2 2E5A LAQ 0.01242 0.40847 1.44092
3 2XXP DSL 0.02335 0.42547 1.5748
4 1O5R FR9 0.008171 0.42092 1.68539
5 4DE9 VTP 0.01279 0.41045 1.74825
6 3RGA LSB 0.007394 0.40215 1.76678
7 4CQE CQE 0.00133 0.46469 1.79856
8 5W4W 9WG 0.002005 0.44846 1.81269
9 4KBA 1QM 0.001855 0.44813 1.81269
10 3LVW GSH 0.0159 0.41166 1.83727
11 2OO8 RAJ 0.00943 0.40497 1.89274
12 4BQY FNT 0.001566 0.41149 1.98413
13 5L9V OGA 0.01196 0.40423 1.98413
14 2XVD AS6 0.002276 0.44301 1.98676
15 4B2Z P5S 0.008327 0.42735 2.09974
16 5MRH Q9Z 0.005066 0.42679 2.09974
17 5LRT ADP 0.004994 0.42257 2.09974
18 4C2Z 646 0.02916 0.41368 2.09974
19 2DXU BT5 0.006406 0.42594 2.12766
20 3FW4 CAQ 0.00584 0.41942 2.24719
21 4OYA 1VE 0.01403 0.43387 2.3622
22 4B0T ADP 0.006387 0.41763 2.3622
23 1REQ DCA 0.03195 0.4034 2.3622
24 5VC5 96M 0.01569 0.40237 2.42215
25 5UIU 8CG 0.006536 0.42293 2.47678
26 5T8U LPA 0.00451 0.40022 2.5
27 5UR1 YY9 0.02745 0.40493 2.57235
28 2A8Y MTA 0.007662 0.40731 2.59259
29 1Y0G 8PP 0.02188 0.41068 2.6178
30 3SXF BK5 0.005544 0.43138 2.62467
31 1GET NAP 0.02615 0.42348 2.62467
32 1GET FAD 0.02675 0.42183 2.62467
33 1OJ7 NZQ 0.01699 0.41027 2.62467
34 5LUN OGA 0.009461 0.4091 2.84091
35 2IFW ACE PHE LYS PHE PSA LEU AAR 0.0148 0.40865 2.91262
36 4P5Z Q7M 0.001879 0.45746 3.04709
37 3KRR DQX 0.02355 0.42169 3.05085
38 5L2J 70E 0.04931 0.40741 3.06122
39 5L2J 6UL 0.0469 0.40741 3.06122
40 1VA6 ADP 0.006271 0.42882 3.14961
41 1VA6 P2S 0.02321 0.4037 3.14961
42 3IES M24 0.02319 0.40268 3.14961
43 1ZB6 DIN 0.01396 0.40609 3.25733
44 1ZB6 GST 0.01488 0.40609 3.25733
45 2YKL NLD 0.001691 0.41937 3.30189
46 5EW9 5VC 0.03013 0.43156 3.32103
47 5BVE 4VG 0.00641 0.4492 3.3241
48 3T4L ZEA 0.0005646 0.45406 3.33333
49 3LXK MI1 0.005835 0.42245 3.36391
50 3VRY B43 0.003025 0.43574 3.41207
51 4ANW O92 0.006172 0.4267 3.41207
52 5IXG OTP 0.01843 0.41696 3.5503
53 3E9I XAH 0.01657 0.40387 3.67454
54 2HK5 1BM 0.004778 0.41659 3.7037
55 5IXH OTP 0.01491 0.4189 3.72671
56 3LXN MI1 0.01007 0.40194 3.77358
57 3E85 BSU 0.008795 0.42723 3.79747
58 4XMF HSM 0.001364 0.46429 3.80435
59 1UNB PN1 0.01097 0.4136 3.85852
60 1UNB AKG 0.01046 0.41199 3.85852
61 4GCZ FMN 0.003765 0.41934 3.8961
62 2JLD AG1 0.006162 0.42798 3.93701
63 1PZO CBT 0.01772 0.41241 4.18251
64 2XIQ MLC 0.002634 0.44148 4.19948
65 2J9D ADP 0.005915 0.41592 4.20168
66 2J9D AMP 0.005521 0.40987 4.20168
67 1K27 MTM 0.009996 0.40208 4.24028
68 3EWC MCF 0.004116 0.42644 4.31267
69 3KV8 FAH 0.01199 0.43538 4.31655
70 2YNE YNE 0.01929 0.43614 4.46194
71 2YNE NHW 0.01929 0.43614 4.46194
72 2PR5 FMN 0.002947 0.42411 4.54545
73 1MDC PLM 0.008649 0.40837 4.54545
74 5DJT FMN 0.003435 0.42112 4.82759
75 5D9G GLU ASN LEU TYR PHE GLN 0.01037 0.41154 4.87805
76 5BU3 4W9 0.007614 0.40921 4.8913
77 4IEN GDP 0.008991 0.4004 4.90798
78 1GT4 UNA 0.0003858 0.459 5.03145
79 3P7N FMN 0.004403 0.4182 5.03876
80 1WUB OTP 0.002178 0.45983 5.05618
81 4CS4 AXZ 0.023 0.41133 5.10949
82 3G5D 1N1 0.001752 0.47026 5.24476
83 4OPC FDA 0.01999 0.44075 5.24934
84 4OPC PGT 0.02255 0.44075 5.24934
85 2YAK OSV 0.01606 0.40451 5.26316
86 1VJY 460 0.001297 0.45878 5.28053
87 3MTX PGT 0.005926 0.43231 5.29801
88 3IHG FAD 0.009366 0.41557 5.42056
89 3PP0 03Q 0.00046 0.47211 5.6213
90 4K55 H6P 0.00005889 0.40138 5.64516
91 1KDK DHT 0.005317 0.41804 5.64972
92 4R38 RBF 0.000389 0.46578 5.71429
93 5KR7 6X9 0.004135 0.42171 5.72207
94 5HCY 60D 0.001622 0.46609 5.74018
95 4EES FMN 0.003254 0.42413 6.08696
96 1NB9 RBF 0.01136 0.42082 6.12245
97 1NB9 ADP 0.01136 0.42082 6.12245
98 2YMZ LAT 0.004811 0.41277 6.15385
99 5HES 032 0.01298 0.40028 6.18893
100 5H2U 1N1 0.008189 0.40393 6.36704
101 4XV1 904 0.004648 0.43381 6.50685
102 3ITJ FAD 0.04083 0.40274 6.50888
103 1OUK 084 0.00936 0.45883 6.55738
104 4LOO SB4 0.00494 0.41203 6.6482
105 3M3R BCD 0.02853 0.40227 6.82594
106 2TPI ILE VAL 0.003915 0.41654 6.89655
107 3KYF 5GP 5GP 0.002119 0.40867 6.92641
108 4O9S 2RY 0.001557 0.44757 6.97674
109 5T7I LAT NAG GAL 0.01406 0.41139 7.09677
110 5ECP ATP 0.01941 0.41142 7.17489
111 5ECP MET 0.01953 0.41034 7.17489
112 5ECP JAA 0.01953 0.41034 7.17489
113 2YG2 S1P 0.006466 0.41415 7.55814
114 4UWJ 7L5 0.004152 0.46157 7.61155
115 4UWJ MYA 0.004152 0.46157 7.61155
116 2E56 MYR 0.01556 0.40641 7.63889
117 5F6U 5VK 0.001333 0.45613 7.64331
118 3NZ1 3NY 0.01013 0.4139 8.04598
119 4WVW SLT 0.001589 0.45854 8.33333
120 4USI ATP 0.008528 0.40697 8.44156
121 1T27 PCW 0.008075 0.43197 8.48709
122 3WSJ MK1 0.01993 0.40249 8.62069
123 4NG2 OHN 0.005809 0.41628 8.69565
124 3GC8 B45 0.01081 0.40227 8.91892
125 4RYV ZEA 0.008408 0.41155 9.03226
126 3HUJ AGH 0.02897 0.40798 9.15493
127 3IX8 TX3 0.01276 0.40372 9.24856
128 3EM0 CHD 0.02079 0.41266 9.42029
129 4WO4 JLS 0.01414 0.41815 9.48905
130 4XIZ LPP 0.02188 0.40171 10
131 3ZJX BOG 0.0009418 0.47222 10.0346
132 5XDT ZI7 0.003111 0.43518 10.0649
133 3G08 FEE 0.03192 0.41031 10.5263
134 5TVM PUT 0.01807 0.41395 10.5882
135 4RT1 C2E 0.006372 0.40502 10.7143
136 4HIA FMN 0.01138 0.41757 10.7955
137 5DKK FMN 0.002598 0.40922 11.0345
138 3UXL CFI 0.02492 0.407 11.2861
139 4N1T 2GD 0.01027 0.41741 12.5786
140 5DG2 GAL GLC 0.004385 0.41466 13.3333
141 3E2M E2M 0.01332 0.40285 14.0541
142 3T50 FMN 0.004685 0.41507 14.0625
143 3NCQ ATP 0.007861 0.40858 14.2857
144 3SAO DBH 0.000031 0.40522 14.375
145 1KGI T4A 0.001538 0.44445 15.748
146 3IS2 FAD 0.007211 0.41956 19.4805
147 3D72 FAD 0.007958 0.42021 20.1342
148 5EFW FMN 0.003237 0.40472 23.3333
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