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Receptor
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 NUCLEOTBINDING PHOSPHORYLATION POLYMORPHISM TRANSFERASE
Ref.: STRUCTURAL STUDIES OF HUMAN BRAIN-TYPE CREATINE KIN COMPLEXED WITH THE ADP-MG2+-NO3- -CREATINE TRANSITI ANALOGUE COMPLEX FEBS LETT. V. 582 3959 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:605;
B:604;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
ADP B:601;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
CRN B:603;
Valid;
none;
submit data
131.133 C4 H9 N3 O2 CN(CC...
MG B:600;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
NO3 B:602;
Invalid;
none;
submit data
62.005 N O3 [N+](...
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 NUCLEOTBINDING PHOSPHORYLATION POLYMORPHISM TRANSFERASE
Ref.: STRUCTURAL STUDIES OF HUMAN BRAIN-TYPE CREATINE KIN COMPLEXED WITH THE ADP-MG2+-NO3- -CREATINE TRANSITI 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 1 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: 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
Ligand no: 2; Ligand: CRN; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CRN 1 1
2 CMS 0.6 0.775
3 DMG 0.5 0.621622
4 IOM 0.448276 0.942857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3B6R; Ligand: CRN; Similar sites found with APoc: 260
This union binding pocket(no: 1) in the query (biounit: 3b6r.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1XS1 DUT 1.03627
2 4CJX 9L9 1.25392
3 3SLS ANP 1.31579
4 3GDN FAD 1.5748
5 1Q9I FAD 1.5748
6 1Q9I TEO 1.5748
7 2IV2 2MD 1.5748
8 4QMN DB8 1.6129
9 1IR3 ANP 1.63399
10 3BU5 ATP 1.63399
11 1X9I G6Q 1.65563
12 1U59 STU 1.74216
13 4BHN BH9 1.79641
14 1NY5 ADP 1.83727
15 2I4O ATP 1.83727
16 1KOJ PAN 1.83727
17 5YFT RI2 1.85185
18 4NM5 ADP 1.85676
19 3ZRM ZRM 1.88679
20 5G1N PAL 1.91083
21 5EH0 5NW 1.93798
22 3F7Z 34O 2
23 6E2O S0L 2.0339
24 3GNI ATP 2.05279
25 4QTB 38Z 2.10526
26 3GXA MET 2.18182
27 3E7O 35F 2.22222
28 4WOP CTP 2.22222
29 3HMO STU 2.33918
30 3E8N VRA 2.34604
31 3E8N ATP 2.34604
32 1SJN DUP 2.35294
33 2ZFN ACO 2.3622
34 6HSP COA 2.3622
35 2C1Q BTN 2.38095
36 1CTU ZEB 2.38095
37 2PVF ACP 2.39521
38 3IR1 MET 2.44898
39 5U6C 7YS 2.53968
40 3RI1 3RH 2.55591
41 5UR1 YY9 2.57235
42 1QK3 5GP 2.57511
43 1U5R ATP 2.58621
44 2FAR DTP 2.589
45 4ITU 1HS 2.60223
46 3EYA TDP 2.62467
47 5AE9 OKO 2.62467
48 6FW2 MTE 2.62467
49 4CYD CMP 2.66667
50 3C1X CKK 2.68097
51 4AU8 Z3R 2.7027
52 1TMX BEZ 2.73038
53 6EDK 1YA 2.76498
54 1P4A PCP 2.80702
55 1NV8 SAM 2.8169
56 1NV8 MEQ 2.8169
57 3CU0 UDP 2.84698
58 5TC4 L34 2.8481
59 5Y5Q DUT 2.87356
60 1R9J TPP 2.88714
61 4FL3 ANP 2.88714
62 2CFM AMP 2.88714
63 4MV1 ADP 2.88714
64 1USR SIA WIA 2.88714
65 2IBY COA 2.88714
66 6BJB 1VU 2.88714
67 5WNL STU 2.92398
68 2IRY DGT 2.9703
69 2AC7 ADN 2.97872
70 5WO4 B7V 2.98013
71 4B74 1LH 3.003
72 3GC0 AMP 3.03951
73 3GRU AMP 3.05085
74 1VA6 P2S 3.14961
75 5C9P FUC 3.14961
76 2WW4 ADP 3.18021
77 1OJ4 ANP 3.18021
78 2CJF RP4 3.18471
79 5TO8 7FM 3.19149
80 5TZO 7V7 3.19149
81 2OFV 242 3.2491
82 3LXK MI1 3.36391
83 4IDT T28 3.37079
84 3FPZ AHZ 3.37423
85 3K56 IS3 3.38346
86 3HAZ FAD 3.41207
87 2R5N RP5 3.41207
88 2R5N R5P 3.41207
89 2R5N TPP 3.41207
90 3ABA FLI 3.41207
91 6EPY RAF 3.41207
92 3THR C2F 3.41297
93 6C7Y ADP 3.4188
94 1J39 UPG 3.4188
95 5L8L ADP 3.4188
96 4B0H DUR 3.47222
97 3H4V NAP 3.47222
98 3CY2 MB9 3.50318
99 2X2M X2M 3.50318
100 3FXU TSU 3.60656
101 6GIN IR2 3.65448
102 1T36 ADP 3.67454
103 5ND5 TPP 3.67454
104 5WXU FLC 3.67454
105 3LXN MI1 3.77358
106 3Q60 ATP 3.77358
107 6GWR FEW 3.80952
108 3NC9 TR3 3.83387
109 1PI5 SM2 3.91061
110 4O1P ANP 3.93701
111 5TE1 7A2 3.93701
112 5AEE NSQ 3.93701
113 2JLD AG1 3.93701
114 1Y57 MPZ 3.93701
115 5KBZ 3B2 3.97878
116 4RHY 3QG 3.9801
117 3GQI ACP 3.9823
118 3NUG NAD 4.04858
119 1YRE COA 4.06091
120 3N8K D1X 4.06977
121 1P19 IMP 4.0724
122 5XU2 F6R 4.19948
123 5XU2 8EL 4.19948
124 5XU2 TPP 4.19948
125 2BJU IH4 4.19948
126 1DJN FMN 4.19948
127 1UXG NAD 4.20712
128 1UXG FUM 4.20712
129 1LH0 ORO 4.22535
130 3QDL FMN 4.28571
131 4K33 ACP 4.30769
132 4CSV STI 4.36364
133 5DH3 5BS 4.44444
134 5CUO COA 4.45545
135 1UU6 BGC BGC BGC BGC 4.46429
136 4KM2 ATR 4.46927
137 4KM2 TOP 4.46927
138 4NV7 COA 4.48718
139 5AX9 4KT 4.54545
140 3NW7 LGV 4.56026
141 5DBX ANP 4.57317
142 1S5P LYS GLY GLY ALA ALY ARG HIS ARG 4.68085
143 3SRV S19 4.69314
144 4MFZ MFK 4.71976
145 2RC5 FAD 4.77707
146 5XVG 8FX 4.77816
147 4JWH SAH 4.79233
148 5VJN IR8 4.81283
149 5VJN ADE 4.81283
150 4FJU GLV 4.8433
151 3G6K POP 4.87013
152 3G6K FAD 4.87013
153 4R5Z SIN 4.90463
154 4P86 5GP 4.91803
155 3PTG 932 4.95868
156 4B5P ACO 5
157 3AB4 LYS 5.05618
158 3MB5 SAM 5.09804
159 2B9J ADP 5.09915
160 2FXV 5GP 5.15464
161 3FUU ADN 5.16605
162 2HFN FMN 5.22876
163 4KCF AKM 5.24934
164 2W5P CL8 5.36913
165 3FC2 IBI 5.37313
166 3P8N L4T 5.37634
167 1JJE BYS 5.40541
168 3ZMR GLO BGC BGC XYS BGC XYS XYS 5.47368
169 3DAK ANP 5.51724
170 4AUA 4AU 5.53746
171 1BWO LPC 5.55556
172 3TKI S25 5.57276
173 2HY0 306 5.59006
174 5YF9 NIO 5.60472
175 6FCH PRP 5.61798
176 3PP0 03Q 5.6213
177 1HFS L04 5.625
178 2H88 TEO 5.71429
179 6C0T EE4 5.76369
180 5HY1 WDL 5.77428
181 5K04 COA 5.88235
182 5APG EEM 5.94595
183 1G27 BB1 5.95238
184 4WJT NAG 5.98802
185 4OAV ACP 6.03675
186 4ISK 1JY 6.06061
187 1ZPR CB3 6.06061
188 1OVD ORO 6.10932
189 1OVD FMN 6.10932
190 6EQS BV8 6.18182
191 2IVF MD1 6.29921
192 4UX9 ANP 6.31868
193 5JZJ AN2 6.39731
194 3TTI KBI 6.56168
195 5O0J 8BR 6.56168
196 3JYN NDP 6.76923
197 4ITH RCM 6.80272
198 1TKB N1T 6.82415
199 4UTG ANP 6.93642
200 5WSY 7UC 6.93642
201 6BQ6 TER 6.94864
202 2YI0 YI0 6.9869
203 4MA6 28E 7.00637
204 3AIA SAM 7.109
205 5ECP JAA 7.17489
206 5ECP ATP 7.17489
207 5ECP MET 7.17489
208 5H5J FAD 7.2165
209 1TPY SAH 7.31707
210 4QGE 35O 7.34908
211 3TE4 ACO 7.44186
212 4X3H ARG ILE PRO SER TYR ARG TYR ARG TYR 7.59494
213 3HY3 10F 7.88177
214 4HEQ FMN 8.21918
215 1KPG SAH 8.36237
216 3OZG SSI 8.4
217 2AF6 BRU 8.52713
218 4WNP 3RJ 9.05923
219 2R40 20E 9.12547
220 5ZI2 NAD 9.27536
221 1WK8 VMS 9.27835
222 5K9B FMN 9.44444
223 6AM8 TRP 9.44882
224 3DLS ADP 9.55224
225 5LVP ATP 9.6463
226 3B2Q ATP 9.97375
227 5YW5 ADE 10.0559
228 5DRB 5FJ 10.3093
229 5HVJ ANP 10.4762
230 5TT5 NAD 10.4987
231 1L1Q 9DA 10.7527
232 5DEY 59T 11.1111
233 1X0P FAD 11.1888
234 3F8K COA 11.25
235 1BZY IMU 11.5207
236 6AC9 ANP 11.6216
237 4FG8 ATP 11.746
238 2CHT TSA 11.811
239 4ZOH FAD 11.811
240 2BPM 529 12.0755
241 1EFV AMP 12.1569
242 1EFV FAD 12.1569
243 5LMK 6ZK 12.4031
244 1V0O INR 13.1944
245 4C2W ANP 13.4615
246 6GU6 1QK 14.2857
247 2X61 NGA GAL SIA 14.3411
248 1KHZ ADV 14.3541
249 3H9R TAK 14.6789
250 3MHP FAD 15.3846
251 2RIO ADP 15.748
252 5BSH PRO 15.8845
253 4C2V YJA 15.9091
254 6GCB GSH 16
255 4M8E 29V 16.0173
256 5Z84 PEK 20
257 5ZCO PEK 20
258 1S68 AMP 21.2851
259 5G1X ADP 26.9841
260 4YFB PAC 29.6296
Pocket No.: 2; Query (leader) PDB : 3B6R; Ligand: ADP; Similar sites found with APoc: 313
This union binding pocket(no: 2) in the query (biounit: 3b6r.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1WW5 SGA BGC None
2 1S4M LUM 1.36519
3 2E5A LAQ 1.44092
4 2XXP DSL 1.5748
5 5G48 1FL 1.60428
6 4QMN DB8 1.6129
7 1O5R FR9 1.68539
8 3RGA LSB 1.76678
9 4YBN FAD 1.78571
10 4CQE CQE 1.79856
11 4KBA 1QM 1.81269
12 5W4W 9WG 1.81269
13 4RD0 GDP 1.83727
14 5KJW 53C 1.83727
15 3LVW GSH 1.83727
16 5L2R MLA 1.83727
17 2OO8 RAJ 1.89274
18 5OX6 A1Z 1.98413
19 5L9V OGA 1.98413
20 2XVD AS6 1.98676
21 4B2Z P5S 2.09974
22 5MRH Q9Z 2.09974
23 5LRT ADP 2.09974
24 5MU6 KFK 2.09974
25 5MU6 MYA 2.09974
26 5J5Z FAD 2.09974
27 2DXU BT5 2.12766
28 3QPB URA 2.12766
29 3FW4 CAQ 2.24719
30 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 2.26244
31 4BTV RB3 2.32558
32 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 2.33918
33 2JDR L20 2.33918
34 5YJS SAL 2.3622
35 2PNC CLU 2.3622
36 4OYA 1VE 2.3622
37 4B0T ADP 2.3622
38 4LIT AKG 2.3622
39 2VK4 TPP 2.3622
40 1REQ DCA 2.3622
41 3PE2 E1B 2.37389
42 5VC5 96M 2.42215
43 5UIU 8CG 2.47678
44 5T8U LPA 2.5
45 5UR1 YY9 2.57235
46 2A8Y MTA 2.59259
47 1Y0G 8PP 2.6178
48 2Z3U CRR 2.62467
49 4ONA UW1 2.62467
50 1GET NAP 2.62467
51 5AE9 OKO 2.62467
52 1GET FAD 2.62467
53 1OJ7 NZQ 2.62467
54 1RYD GLC 2.62467
55 5T96 79J 2.63158
56 5LUN OGA 2.84091
57 5WO4 B7V 2.98013
58 5WL1 CUY 3.0303
59 5WL1 D3D 3.0303
60 4P5Z Q7M 3.04709
61 2G30 ALA ALA PHE 3.10078
62 1VA6 ADP 3.14961
63 3TCT 3MI 3.14961
64 1VA6 P2S 3.14961
65 6E08 NAP 3.14961
66 3IES M24 3.14961
67 2VDF OCT 3.16206
68 1SDW IYT 3.18471
69 2RDE C2E 3.18725
70 4IAW LIZ 3.19149
71 5A89 ADP 3.20513
72 5A89 FMN 3.20513
73 5EJL C2E 3.22581
74 5U98 1KX 3.2491
75 1ZB6 GST 3.25733
76 1ZB6 DIN 3.25733
77 2YKL NLD 3.30189
78 5BVE 4VG 3.3241
79 3T4L ZEA 3.33333
80 3LXK MI1 3.36391
81 6CC0 EWM 3.37553
82 1QD1 FON 3.38462
83 3VRY B43 3.41207
84 2A9G ARG 3.41207
85 6C1S EFV 3.41207
86 4FE2 AIR 3.52941
87 5IXG OTP 3.5503
88 6CAY ERG 3.5503
89 5NLD LBT 3.59712
90 1C1L GAL BGC 3.64964
91 4YRI 4JH 3.67454
92 3MF2 AMP 3.67454
93 3E9I XAH 3.67454
94 4X9X OLA 3.67893
95 2HK5 1BM 3.7037
96 4XTX 590 3.7037
97 5IXH OTP 3.72671
98 2EB5 OXL 3.74532
99 3VV1 GAL FUC 3.75
100 2P7Q GG6 3.7594
101 3LXN MI1 3.77358
102 3E85 BSU 3.79747
103 5H9P TD2 3.79747
104 6DW2 HD4 3.79747
105 4XMF HSM 3.80435
106 6GWR FEW 3.80952
107 1UYY BGC BGC 3.81679
108 6GH9 MIX 3.83562
109 1UNB PN1 3.85852
110 1UNB AKG 3.85852
111 5GLT BGC GAL NAG GAL 3.87324
112 4GCZ FMN 3.8961
113 2JLD AG1 3.93701
114 2Y3S TIR 3.93701
115 3QSB 743 4.09836
116 5DYO FLU 4.12844
117 5VCV 1N1 4.18006
118 1PZO CBT 4.18251
119 2XIQ MLC 4.19948
120 2YBP 2HG 4.19948
121 6BQC LOP 4.19948
122 2J9C ATP 4.20168
123 2J9D ADP 4.20168
124 2J9D AMP 4.20168
125 4XCB AKG 4.21456
126 2GQS C2R 4.21941
127 1K27 MTM 4.24028
128 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 4.25532
129 3I8T LBT 4.26829
130 3EWC MCF 4.31267
131 3KV8 FAH 4.31655
132 6GG9 FMN 4.32099
133 5AYT L6Y 4.40252
134 4R3U 3KK 4.43038
135 4R3U 3HC 4.43038
136 2YNE YNE 4.46194
137 2YNE NHW 4.46194
138 5W75 SUC 4.46194
139 1A78 TDG 4.47761
140 3GD8 GOL 4.4843
141 4NV7 COA 4.48718
142 1MDC PLM 4.54545
143 2PR5 FMN 4.54545
144 2Q8E OGA 4.54545
145 2P5B OGA 4.54545
146 1W8S FBP 4.56274
147 1M5B BN1 4.56274
148 1QY1 PRZ 4.5977
149 5NIU 8YZ 4.6875
150 4WHZ 3NL 4.72441
151 2WSA 646 4.72441
152 2WSA MYA 4.72441
153 3ZXR P3S 4.72441
154 3ZXR IQ1 4.72441
155 2NZ2 CIR 4.72441
156 5OCG 9R5 4.7619
157 6G9I CXX 4.7619
158 5DUS APR 4.7619
159 6F5U CQN 4.7619
160 5XVG 8FX 4.77816
161 5DJT FMN 4.82759
162 5D9G GLU ASN LEU TYR PHE GLN 4.87805
163 1F5F DHT 4.87805
164 5BU3 4W9 4.8913
165 4IEN GDP 4.90798
166 4WVO 3UZ 4.97238
167 3W5N RAM 4.98688
168 5TUF TDC 4.98688
169 5TUF FAD 4.98688
170 4YZ5 SLT 4.98688
171 1GT4 UNA 5.03145
172 3P7N FMN 5.03876
173 3CBC DBS 5.05051
174 1WUB OTP 5.05618
175 3WV6 GAL BGC 5.06757
176 4CS4 AXZ 5.10949
177 4CS4 ANP 5.10949
178 4MOB ADP 5.12048
179 3WUD GLC GAL 5.14706
180 2WA4 069 5.15759
181 4Y24 TD2 5.19481
182 6FA4 D1W 5.20231
183 3G5D 1N1 5.24476
184 4OPC PGT 5.24934
185 4OPC FDA 5.24934
186 2YAK OSV 5.26316
187 1VJY 460 5.28053
188 3MTX PGT 5.29801
189 1VBO MAN 5.36913
190 3IHG FAD 5.42056
191 1I1E DM2 5.51181
192 5KD6 6C7 5.51181
193 2AGC DAO 5.55556
194 3PP0 03Q 5.6213
195 4K55 H6P 5.64516
196 1KDK DHT 5.64972
197 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 5.65217
198 1WZ1 DNS 5.69106
199 5OF1 SAL 5.71429
200 4R38 RBF 5.71429
201 5KR7 6X9 5.72207
202 1DZK PRZ 5.73248
203 5X7Q GLC GLC GLC GLC GLC 5.77428
204 5X7Q GLC GLC GLC GLC 5.77428
205 6EWZ APC 5.90717
206 6GNO XDI 5.92593
207 3OYW TDG 5.97015
208 1GZW GAL BGC 5.97015
209 1W6M GAL 5.97015
210 1W6O LAT 5.97015
211 4EES FMN 6.08696
212 1NB9 ADP 6.12245
213 1NB9 RBF 6.12245
214 2YMZ LAT 6.15385
215 1F9V ADP 6.34006
216 5H2U 1N1 6.36704
217 3H0L ADP 6.38298
218 4XV1 904 6.50685
219 3ITJ FAD 6.50888
220 1OUK 084 6.55738
221 4TWP AXI 6.64207
222 4LOO SB4 6.6482
223 1BC5 ACE ASN TRP GLU THR PHE 6.69145
224 3TAY MN0 6.74847
225 4ITH RCM 6.80272
226 2TPI ILE VAL 6.89655
227 3KYF 5GP 5GP 6.92641
228 6ALW BMJ 6.94444
229 3ESS 18N 6.95652
230 4O9S 2RY 6.97674
231 5T7I LAT NAG GAL 7.09677
232 1Y7P RIP 7.17489
233 5ECP ATP 7.17489
234 5ECP JAA 7.17489
235 5ECP MET 7.17489
236 5D48 L96 7.23684
237 1ULE GLA GAL NAG 7.33333
238 5Y4R C2E 7.48299
239 2YG2 S1P 7.55814
240 4UWJ 7L5 7.61155
241 4UWJ MYA 7.61155
242 1G51 AMP 7.61155
243 2E56 MYR 7.63889
244 5F6U 5VK 7.64331
245 3QRC SCR 7.64331
246 5VGS 9A7 7.64331
247 2AG4 LP3 7.92683
248 2AG4 OLA 7.92683
249 4Z1D PEP 7.97101
250 3NZ1 3NY 8.04598
251 4WUJ FMN 8.16327
252 3L5R 47X 8.19672
253 3ZXE PGZ 8.27068
254 4WVW SLT 8.33333
255 4USI ATP 8.44156
256 1T27 PCW 8.48709
257 1FHX 4IP 8.52713
258 3WSJ MK1 8.62069
259 4NG2 OHN 8.69565
260 1MFI FHC 8.77193
261 3IWD M2T 8.82353
262 5VNF VAL THR SER VAL VAL 8.9172
263 3GC8 B45 8.91892
264 4RYV ZEA 9.03226
265 3HUJ AGH 9.15493
266 3EM0 CHD 9.42029
267 4WO4 JLS 9.48905
268 1SLT NDG GAL 9.70149
269 3M3E GAL A2G NPO 9.93789
270 4XIZ LPP 10
271 3ZJX BOG 10.0346
272 5XDT ZI7 10.0649
273 6C8X BVR 10.101
274 3WUC GLC GAL 10.219
275 2QL9 CIT 10.3093
276 3G08 FEE 10.5263
277 5TVM PUT 10.5882
278 2GUC MAN 10.6557
279 2GUD MAN 10.6557
280 2HYQ MAN MAN 10.6557
281 2NUO BGC 10.6557
282 2NU5 NAG 10.6557
283 2HYR BGC GLC 10.6557
284 2GUE NAG 10.6557
285 4RT1 C2E 10.7143
286 4HIA FMN 10.7955
287 5SVV FMN 10.9489
288 5DKK FMN 11.0345
289 5DEY 59T 11.1111
290 3UXL CFI 11.2861
291 5HWV MBN 12.3077
292 4F7E 0SH 12.3675
293 5ANU 58T 12.6582
294 5DJU FMN 13.1148
295 5DG2 GAL GLC 13.3333
296 4C2W ANP 13.4615
297 3E2M E2M 14.0541
298 3T50 FMN 14.0625
299 1QKQ MAN 14.0845
300 3NCQ ATP 14.2857
301 3SAO DBH 14.375
302 1KGI T4A 15.748
303 1JAC AMG 16.5414
304 1KUJ MMA 16.5414
305 1WS5 MMA 16.5414
306 1WS4 AMG 16.5414
307 1VKF CIT 17.5532
308 3IS2 FAD 19.4805
309 3D72 FAD 20.1342
310 6GBV FMN 20.5479
311 2GJ5 VD3 20.9877
312 5EFW FMN 23.3333
313 2OS2 OGA 36.3636
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