Receptor
PDB id Resolution Class Description Source Keywords
1E1R 2.5 Å EC: 3.6.3.14 BOVINE MITOCHONDRIAL F1-ATPASE INHIBITED BY MG2+ADP AND ALUMINIUM FLUORIDE BOS TAURUS ATP PHOSPHORYLASE ATP PHOSPHORYLASE (H+ TRANSPORTING) ATP SYNTHASE F1FO ATP SYNTHASE F1-ATPASE
Ref.: STRUCTURE OF BOVINE MITOCHONDRIAL F1-ATPASE INHIBITED BY MG2+ADP AND ALUMINIUM FLUORIDE STRUCTURE V. 8 567 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP D:600;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
AF3 D:602;
Valid;
none;
submit data
83.977 Al F3 F[Al]...
ANP A:600;
B:600;
C:600;
F:600;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
MG A:601;
B:601;
C:601;
D:601;
F:601;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
PO4 E:602;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W0J 2.2 Å EC: 3.6.3.14 BERYLLIUM FLUORIDE INHIBITED BOVINE F1-ATPASE BOS TAURUS ATP PHOSPHORYLASE ATP PHOSPHORYLASE (H+ TRANSPORTING) ATP SYNTHASE F1FO ATP SYNTHASE F1-ATPASE HYDROLASE ATP SYNTHESIS ATP-BINDING
Ref.: THE STRUCTURE OF BOVINE F1-ATPASE INHIBITED BY ADP AND BERYLLIUM FLUORIDE EMBO J. V. 23 2734 2004
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2JJ2 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 1W0J - ADP BEF n/a n/a
3 1E1R - AF3 Al F3 F[Al](F)F
4 2JIZ - ANP C10 H17 N6 O12 P3 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 9 families.
1 2JJ2 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 1W0J - ADP BEF n/a n/a
3 1E1R - AF3 Al F3 F[Al](F)F
4 2JIZ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2JJ2 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 1W0J - ADP BEF n/a n/a
3 1E1R - AF3 Al F3 F[Al](F)F
4 2JIZ - ANP C10 H17 N6 O12 P3 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
Ligand no: 2; Ligand: AF3; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AF3 1 1
Ligand no: 3; Ligand: ANP; Similar ligands found: 358
No: Ligand ECFP6 Tc MDL keys Tc
1 ANP 1 1
2 A2D 0.810811 0.945205
3 B4P 0.802632 0.945205
4 ADP 0.802632 0.972222
5 AP5 0.802632 0.945205
6 BA3 0.789474 0.945205
7 AU1 0.782051 1
8 ATP 0.772152 0.972222
9 AN2 0.769231 0.986111
10 AQP 0.7625 0.972222
11 5FA 0.7625 0.972222
12 M33 0.759494 0.932432
13 MAP 0.752941 0.972973
14 ACP 0.75 0.945946
15 APR 0.740741 0.945205
16 AR6 0.740741 0.945205
17 ACQ 0.73494 0.945946
18 AD9 0.731707 0.945946
19 SAP 0.731707 0.921053
20 AGS 0.731707 0.921053
21 AMP 0.723684 0.944444
22 A 0.723684 0.944444
23 ATF 0.717647 0.933333
24 ADX 0.716049 0.851852
25 CA0 0.716049 0.92
26 50T 0.707317 0.932432
27 PRX 0.698795 0.87013
28 ABM 0.696203 0.893333
29 AMP MG 0.683544 0.868421
30 AP2 0.679012 0.933333
31 A12 0.679012 0.933333
32 APC 0.678571 0.933333
33 TAT 0.674419 0.933333
34 A22 0.674157 0.958904
35 SRA 0.670886 0.894737
36 SRP 0.670455 0.883117
37 5AL 0.666667 0.906667
38 ADQ 0.659341 0.92
39 A1R 0.659341 0.884615
40 ADP MG 0.654762 0.881579
41 3OD 0.648936 0.92
42 BIS 0.648936 0.909091
43 5SV 0.648352 0.82716
44 BEF ADP 0.647059 0.858974
45 ADP BEF 0.647059 0.858974
46 OAD 0.645161 0.92
47 25L 0.642105 0.958904
48 AMO 0.641304 0.907895
49 G5P 0.636364 0.897436
50 DLL 0.634409 0.906667
51 AHX 0.634409 0.897436
52 00A 0.634409 0.860759
53 ANP MG 0.633333 0.921053
54 ADV 0.632184 0.907895
55 ADP PO3 0.632184 0.917808
56 RBY 0.632184 0.907895
57 NB8 0.631579 0.897436
58 25A 0.630435 0.945205
59 8QN 0.630435 0.906667
60 OOB 0.630435 0.906667
61 G3A 0.626263 0.897436
62 ATP MG 0.625 0.881579
63 4AD 0.623656 0.896104
64 PAJ 0.623656 0.8625
65 LAD 0.621053 0.839506
66 1ZZ 0.614583 0.819277
67 TXA 0.614583 0.907895
68 ME8 0.614583 0.819277
69 GTA 0.613861 0.864198
70 3UK 0.610526 0.894737
71 SON 0.604651 0.907895
72 ADP ALF 0.604396 0.848101
73 ALF ADP 0.604396 0.848101
74 WAQ 0.604167 0.860759
75 PR8 0.604167 0.829268
76 4UV 0.6 0.871795
77 GAP 0.6 0.87013
78 FYA 0.597938 0.881579
79 PTJ 0.597938 0.873418
80 ADP VO4 0.597826 0.906667
81 VO4 ADP 0.597826 0.906667
82 UP5 0.596154 0.896104
83 YAP 0.59596 0.871795
84 FA5 0.59596 0.883117
85 PAP 0.595506 0.958333
86 A4P 0.59434 0.823529
87 XAH 0.59 0.841463
88 4UU 0.588235 0.871795
89 AFH 0.588235 0.8625
90 9SN 0.585859 0.85
91 2A5 0.58427 0.894737
92 T5A 0.583333 0.821429
93 NAI 0.580952 0.884615
94 ITT 0.579545 0.917808
95 ATR 0.577778 0.944444
96 OMR 0.575472 0.831325
97 5AS 0.574713 0.781609
98 YLP 0.571429 0.8
99 48N 0.571429 0.873418
100 AP0 0.570093 0.873418
101 4TC 0.570093 0.873418
102 7D3 0.569767 0.881579
103 ADJ 0.568807 0.831325
104 GNP 0.568421 0.922078
105 DAL AMP 0.568421 0.881579
106 NXX 0.566038 0.907895
107 TXD 0.566038 0.884615
108 NAX 0.566038 0.851852
109 4UW 0.566038 0.839506
110 6V0 0.566038 0.873418
111 DND 0.566038 0.907895
112 XYA 0.565789 0.821918
113 ADN 0.565789 0.821918
114 RAB 0.565789 0.821918
115 AOC 0.564706 0.8
116 7D4 0.561798 0.881579
117 ADP BMA 0.561224 0.894737
118 TXE 0.560748 0.884615
119 TYM 0.560748 0.883117
120 YLB 0.555556 0.8
121 YLC 0.555556 0.819277
122 139 0.554545 0.851852
123 5N5 0.551282 0.797297
124 JB6 0.55 0.860759
125 LAQ 0.54717 0.819277
126 MYR AMP 0.544554 0.797619
127 A4D 0.544304 0.797297
128 5CD 0.544304 0.783784
129 7MD 0.542857 0.864198
130 6AD 0.542553 0.886076
131 A2R 0.541667 0.958904
132 UPA 0.541284 0.884615
133 YLA 0.540541 0.8
134 A A 0.54 0.918919
135 COD 0.539823 0.793103
136 BTX 0.539823 0.821429
137 G5A 0.537634 0.781609
138 CNA 0.535714 0.907895
139 AYB 0.535714 0.790698
140 3DH 0.535714 0.753247
141 BT5 0.535088 0.811765
142 ATP A A A 0.533981 0.905405
143 IOT 0.531532 0.811765
144 MTA 0.53012 0.753247
145 3AM 0.529412 0.90411
146 A3P 0.52809 0.944444
147 NAD 0.526316 0.906667
148 PPS 0.526316 0.851852
149 EP4 0.52439 0.734177
150 7D5 0.52381 0.855263
151 AMP DBH 0.52381 0.87013
152 J7C 0.522727 0.75
153 A5A 0.520833 0.809524
154 EAD 0.520661 0.851852
155 TSB 0.520408 0.821429
156 AHZ 0.518519 0.797619
157 M2T 0.518072 0.716049
158 DTA 0.518072 0.766234
159 A3D 0.517241 0.894737
160 6RE 0.517241 0.740741
161 YLY 0.516949 0.790698
162 SSA 0.515464 0.802326
163 NA7 0.514852 0.933333
164 TYR AMP 0.514286 0.858974
165 AR6 AR6 0.514019 0.893333
166 7MC 0.513514 0.843373
167 A2P 0.511111 0.930556
168 52H 0.510204 0.781609
169 VMS 0.510204 0.790698
170 54H 0.510204 0.790698
171 TAD 0.509259 0.8625
172 NAQ 0.508333 0.85
173 A3N 0.505618 0.766234
174 AV2 0.505155 0.893333
175 5CA 0.50505 0.802326
176 53H 0.50505 0.781609
177 ARU 0.504951 0.839506
178 ARG AMP 0.504587 0.809524
179 ZID 0.504132 0.894737
180 P1H 0.504 0.831325
181 3AT 0.5 0.945205
182 NAE 0.5 0.871795
183 AVV 0.5 0.873418
184 P5A 0.495146 0.747253
185 DSZ 0.49505 0.802326
186 LSS 0.49505 0.764045
187 NSS 0.49505 0.802326
188 N0B 0.491803 0.8
189 AF3 ADP 3PG 0.491071 0.817073
190 LA8 ALF 3PG 0.491071 0.817073
191 ALF ADP 3PG 0.491071 0.817073
192 NVA LMS 0.490196 0.764045
193 DAT 0.489362 0.881579
194 IMO 0.488889 0.90411
195 ZAS 0.488636 0.792208
196 FDA 0.488372 0.813953
197 NAJ PZO 0.487395 0.85
198 4TA 0.487179 0.788235
199 LPA AMP 0.486486 0.797619
200 LEU LMS 0.485437 0.764045
201 DTP 0.484536 0.881579
202 V3L 0.484536 0.945205
203 GJV 0.483516 0.731707
204 S4M 0.483516 0.651685
205 DZD 0.483051 0.8625
206 2AM 0.482759 0.917808
207 5AD 0.481013 0.726027
208 KAA 0.480769 0.755556
209 GSU 0.480769 0.781609
210 NDE 0.480315 0.907895
211 M24 0.479339 0.851852
212 MAO 0.478261 0.761905
213 DSH 0.477778 0.707317
214 NEC 0.477778 0.727273
215 FAD 0.477273 0.831325
216 FAS 0.477273 0.831325
217 RGT 0.476636 0.933333
218 0WD 0.474576 0.897436
219 G A A A 0.474576 0.85
220 FNK 0.474074 0.786517
221 5X8 0.473684 0.74359
222 6FA 0.473282 0.821429
223 FB0 0.472868 0.786517
224 NDC 0.472868 0.85
225 YSA 0.472222 0.781609
226 7DD 0.468085 0.958333
227 OVE 0.466667 0.881579
228 NAD IBO 0.466102 0.848101
229 MHZ 0.463158 0.701149
230 A3G 0.461538 0.779221
231 6C6 0.459184 0.858974
232 U A G G 0.458333 0.860759
233 SFG 0.458333 0.730769
234 7D7 0.45679 0.723684
235 128 0.45614 0.8
236 SFD 0.455224 0.736842
237 DDS 0.454545 0.855263
238 GDP 0.454545 0.896104
239 6IA 0.454545 0.817073
240 NJP 0.453782 0.921053
241 ODP 0.453782 0.886076
242 7DT 0.453608 0.958333
243 A7D 0.452632 0.75641
244 Z5A 0.452381 0.802326
245 WSA 0.452174 0.790698
246 7C5 0.45045 0.797468
247 FAY 0.449275 0.841463
248 NDP 0.449153 0.897436
249 A5D 0.44898 0.766234
250 SA8 0.44898 0.690476
251 NAJ PYZ 0.448 0.851852
252 71V 0.446809 0.884615
253 GGZ 0.446602 0.804878
254 RFL 0.446043 0.802326
255 2SA 0.445545 0.907895
256 AMP NAD 0.444444 0.858974
257 GP3 0.444444 0.897436
258 SAI 0.444444 0.716049
259 SAH 0.444444 0.725
260 A A A 0.443396 0.881579
261 PO4 PO4 A A A A PO4 0.443396 0.878378
262 4YB 0.442478 0.764045
263 GTP 0.441176 0.896104
264 SMM 0.441176 0.670455
265 S7M 0.441176 0.674419
266 Y3J 0.440476 0.706667
267 SAM 0.44 0.674419
268 649 0.439655 0.747253
269 12D 0.438596 0.809524
270 A3S 0.4375 0.789474
271 NPW 0.436975 0.864198
272 GCP 0.436893 0.873418
273 AAT 0.435644 0.690476
274 EEM 0.435644 0.674419
275 GNH 0.435644 0.909091
276 DCA 0.435484 0.804598
277 ETB 0.435484 0.813953
278 N6P 0.433962 0.890411
279 TXP 0.433333 0.897436
280 NZQ 0.433333 0.886076
281 PGS 0.43299 0.860759
282 APU 0.432203 0.871795
283 PUA 0.432 0.8625
284 62F 0.431655 0.841463
285 F2N 0.431507 0.795455
286 DA 0.430108 0.855263
287 D5M 0.430108 0.855263
288 J7V 0.429688 0.813953
289 NIA 0.428571 0.848101
290 6K6 0.428571 0.905405
291 A3T 0.428571 0.8
292 0T1 0.428571 0.804598
293 COA 0.428571 0.804598
294 P5F 0.427586 0.804598
295 AAM 0.425532 0.944444
296 0UM 0.424528 0.682353
297 G1R 0.423077 0.884615
298 AMZ 0.422222 0.891892
299 C2R 0.422222 0.88
300 A U 0.420168 0.848101
301 IDP 0.42 0.894737
302 GSP 0.419048 0.851852
303 COS 0.418605 0.786517
304 CAO 0.418605 0.777778
305 AMX 0.418605 0.813953
306 30N 0.418605 0.736842
307 DG1 0.418605 0.897436
308 1DG 0.418605 0.897436
309 TM1 0.418182 0.797619
310 A6D 0.416667 0.746988
311 K15 0.416667 0.666667
312 V1N 0.415929 0.893333
313 SCO 0.415385 0.804598
314 CMX 0.415385 0.804598
315 GEK 0.415094 0.719512
316 NHD 0.414634 0.881579
317 XNP 0.414634 0.851852
318 AIR 0.413793 0.876712
319 COK 0.413534 0.786517
320 G2R 0.412844 0.8625
321 FCX 0.412214 0.777778
322 FAM 0.412214 0.786517
323 ACO 0.412214 0.777778
324 NAP 0.410853 0.92
325 CNV FAD 0.409722 0.775281
326 FA9 0.409396 0.843373
327 SXZ 0.409091 0.694118
328 HAX 0.409091 0.806818
329 PLP AAD 0.408 0.744444
330 TAP 0.407692 0.884615
331 2MC 0.407407 0.752688
332 62X 0.407407 0.651685
333 GKE 0.40708 0.8625
334 GDD 0.40708 0.8625
335 GDC 0.40708 0.8625
336 FYN 0.406015 0.804598
337 3KK 0.406015 0.786517
338 U G A 0.405797 0.819277
339 NA0 0.40458 0.907895
340 101 0.404255 0.855263
341 G 0.40404 0.883117
342 5GP 0.40404 0.883117
343 MGP 0.403846 0.8625
344 MCD 0.402985 0.786517
345 OXK 0.402985 0.786517
346 CA6 0.402985 0.714286
347 SOP 0.402985 0.786517
348 3AD 0.402299 0.783784
349 S8M 0.401869 0.78481
350 YE1 0.40146 0.795455
351 1VU 0.4 0.777778
352 2VA 0.4 0.779221
353 CMC 0.4 0.786517
354 7RP 0.4 0.902778
355 GMV 0.4 0.873418
356 6G0 0.4 0.8625
357 CO6 0.4 0.786517
358 NMX 0.4 0.782609
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W0J; Ligand: ADP BEF; Similar sites found: 483
This union binding pocket(no: 1) in the query (biounit: 1w0j.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1YTM ATP 0.0001418 0.46351 2.20588
2 4IDN GNP 0.0007484 0.42706 2.20588
3 4AG5 ADP 0.00006674 0.53585 2.29592
4 5FTB ANP 0.0002232 0.47979 2.54042
5 5FHD ADP ALF 0.0003942 0.44541 2.54042
6 1BG2 ADP 0.000007712 0.59934 2.57353
7 4IEE AGS 0.0002945 0.492 2.57353
8 4NCN GTP 0.001469 0.40864 2.57353
9 3EZ2 ADP 0.00007641 0.52096 2.76382
10 4TMZ GSP 0.001854 0.40501 2.89855
11 1IHU AF3 0.00003713 0.47873 2.94118
12 1IHU ADP 0.00002702 0.476 2.94118
13 3FKQ ATP 0.0003848 0.45892 2.94118
14 1WDT GTP 0.0007776 0.44117 2.94118
15 2JLR ANP 0.0008997 0.44724 3.30882
16 4OHY ANP 0.001483 0.40472 3.30882
17 3TBK ANP 0.0007625 0.47774 3.3195
18 3DEF GDP 0.000176 0.47903 3.43511
19 4BAS GNP 0.002106 0.40891 3.51759
20 2F5X ASP 0.01741 0.41082 3.52564
21 3U6B GDP 0.00009681 0.51588 3.5533
22 4G5G GDP 0.0002203 0.49179 3.5533
23 3U6K GDP 0.0003031 0.48512 3.5533
24 5JBQ GDP 0.0001827 0.42984 3.5533
25 1D8T GDP 0.0002159 0.49222 3.56234
26 2BVN GNP 0.0004939 0.45893 3.56234
27 1NJF ADP 0.00001995 0.50944 3.6
28 1NJF AGS 0.000009103 0.50316 3.6
29 4J0Q GDP 0.0001168 0.51186 3.67647
30 1MKY GDP 0.0001737 0.49677 3.67647
31 3ZFD ANP 0.0001575 0.48674 3.67647
32 1IN4 ADP 0.00007881 0.48384 3.67647
33 1NY5 ADP 0.0002806 0.46494 3.67647
34 1OYY AGS 0.004197 0.4301 3.67647
35 4XGU ADP 0.004475 0.41214 3.67647
36 1D2N ANP 0.003078 0.40911 3.67647
37 3WYA GDP 0.0001805 0.49596 3.68664
38 2CE7 ADP 0.00004614 0.51121 3.78151
39 5HCN GCP 0.000175 0.49045 3.83142
40 4FRZ ADP 0.00003412 0.55257 3.88601
41 3NHB ADP 0.00006667 0.53645 3.92157
42 2B8W ALF 5GP 0.0008046 0.4153 3.96341
43 1V8K ANP 0.00008571 0.51155 4.04412
44 2QEN ADP 0.0002989 0.46373 4.04412
45 4PFO ADP 0.0004672 0.46067 4.04412
46 3DC4 ADP 0.00005856 0.53432 4.06977
47 4JLV ADP 0.007996 0.42106 4.08922
48 4KBF AMP 0.005068 0.43088 4.10959
49 1TQ4 GDP 0.0009502 0.42964 4.11622
50 1VHT BA3 0.0005014 0.46365 4.12844
51 4NZ6 DGL 0.0191 0.409 4.15335
52 1JJ7 ADP 0.00001276 0.5804 4.23077
53 4NON GDP 0.0009287 0.46169 4.23077
54 1G6O ADP 0.00007834 0.50066 4.24242
55 5JCP GDP ALF 0.000174 0.47404 4.29594
56 4YDS ATP 0.00000655 0.58261 4.38596
57 5M7P ADP 0.0004576 0.45105 4.41176
58 1XKV ATP 0.001298 0.44468 4.41176
59 1QHG ATP 0.002289 0.42904 4.41989
60 2FNA ADP 0.001348 0.41665 4.48179
61 4D81 ADP 0.0001603 0.4576 4.59364
62 2C77 GNP 0.0009406 0.42962 4.69136
63 2C78 GNP 0.0009433 0.42207 4.69136
64 1XMV ADP 0.00003837 0.52143 4.77528
65 3FWY ADP 0.00002546 0.51065 4.77707
66 5LB3 ADP 0.0006441 0.4752 4.77941
67 3BFV ADP 0.0002833 0.48653 4.79705
68 2VVG ADP 0.000002703 0.62334 4.85714
69 3IIJ ADP 0.00014 0.50128 5
70 5CK5 GDP 0.000162 0.42717 5.06329
71 4DKX GDP 0.0001753 0.49657 5.09259
72 3VC1 SAH 0.02266 0.40296 5.12821
73 3MD0 GDP 0.00009511 0.51626 5.14706
74 2ZPA ADP 0.0001284 0.47474 5.14706
75 3RC3 ANP 0.01364 0.40953 5.14706
76 1T5C ADP 0.000007839 0.59804 5.15759
77 1YQT ADP 0.00002164 0.56218 5.18672
78 3ZQ6 ADP ALF 0.00004225 0.45017 5.24691
79 4AF5 CIT 0.02007 0.40919 5.26316
80 3FVQ ATP 0.00004894 0.48297 5.29248
81 1JWY ADP 0.00009954 0.50197 5.29412
82 1JWY GDP 0.0005998 0.45515 5.29412
83 3B9Q MLI 0.0003144 0.48325 5.29801
84 3RAB GNP 0.0008447 0.40607 5.32544
85 4XOE KGM 0.01796 0.40996 5.37634
86 2FAH GDP 0.0004062 0.46274 5.4902
87 4A4Z ANP 0.009895 0.41209 5.51471
88 5XDR ADP 0.0009775 0.45533 5.60166
89 1G41 ADP 0.00003378 0.51743 5.63063
90 1S8F GDP 0.0003233 0.40953 5.64972
91 1SKQ GDP 0.0001306 0.50945 5.74713
92 3TK1 GDP 0.00009707 0.52318 5.75758
93 1ION ADP 0.0001125 0.49345 5.76132
94 3BOS CDP 0.0000582 0.51965 5.78512
95 5MZN ADP 0.001333 0.46543 5.80913
96 4WZ6 ATP 0.00001927 0.56552 5.86207
97 3P4X ADP 0.0001124 0.51267 5.88235
98 4LYA ATP 0.0001394 0.4951 5.88235
99 1G7S GDP 0.0003529 0.47613 5.88235
100 5GJC ATP 0.0001227 0.43694 5.88235
101 3KJI ADP 0.001629 0.43567 5.90551
102 1G3Q ADP 0.00008544 0.50508 5.90717
103 1RYH GNP 0.0001563 0.48689 5.91133
104 1R0X ATP 0.0001145 0.51229 5.94406
105 2ZFI ADP 0.0001056 0.50718 6.01093
106 2OZE AGS 0.0001625 0.47035 6.04027
107 2CHG ANP 0.00009071 0.48644 6.19469
108 2HF9 GSP 0.0003921 0.45856 6.19469
109 1I4D GDP 0.000101 0.51498 6.25
110 3QKT ANP 0.0003273 0.42766 6.25
111 4PJ3 ANP 0.002887 0.42452 6.25
112 1E96 GTP 0.0004002 0.41679 6.25
113 2WHX ADP 0.0001446 0.51921 6.27451
114 2CBZ ATP 0.000001951 0.63157 6.32911
115 4PC3 GDP 0.001148 0.4425 6.38298
116 2GDJ ANP 0.00001887 0.54321 6.43939
117 1MH1 GNP 0.0007642 0.4011 6.45161
118 4WEI GLC GAL 0.03013 0.40361 6.4982
119 3Q85 GNP 0.00004871 0.52337 6.50888
120 3EWA ANP 0.00005067 0.52254 6.52174
121 1G4U GDP 0.0003327 0.45699 6.52174
122 5MEX SZZ 0.02152 0.4002 6.52174
123 1Z2A GDP 0.001438 0.409 6.54762
124 1XP8 AGS 0.00018 0.50256 6.55738
125 5FG3 GDP 0.0001136 0.42976 6.61765
126 3Q72 GNP 0.00002281 0.54691 6.62651
127 1FNN ADP 0.00007678 0.48432 6.6838
128 1K6M AGS 0.001932 0.40481 6.71296
129 5G41 AP5 0.0005418 0.4823 6.72646
130 2WIC GNP 0.0003602 0.47571 6.74157
131 2FJU GSP 0.0004766 0.44211 6.74157
132 2CJW GDP 0.0000684 0.51627 6.77083
133 4QOS ADP 0.0005794 0.46077 6.79245
134 3DZD ADP 0.0007659 0.45038 6.79348
135 1FQK GDP 0.0009423 0.41546 6.80272
136 1HE1 GDP 0.0002729 0.45227 6.81818
137 4P32 ADP 0.002466 0.40576 6.82731
138 3IP8 B85 0.006991 0.41939 6.85484
139 4LHW GNP 0.0003023 0.42249 6.89655
140 3TNF GNP 0.000423 0.40566 6.89655
141 4TTQ ATP 0.001256 0.45537 6.97674
142 2IS6 ADP 0.00004193 0.52651 6.98529
143 5GOE GDP 0.0005879 0.46048 6.98529
144 4RZ3 ADP 0.002297 0.41643 6.98529
145 3B5J 12D 0.0001209 0.51835 6.99588
146 4V03 ADP 0.0002745 0.43924 7.00389
147 2IYL GDP 0.0005033 0.47451 7.04225
148 2G77 GDP 0.0003684 0.45975 7.07071
149 2Q2Y MKR 0.008713 0.44423 7.08447
150 3GJ0 GDP 0.0002119 0.49261 7.23982
151 3GJ3 GDP 0.0002348 0.49046 7.23982
152 3GJ5 GDP 0.0003291 0.47756 7.23982
153 1JJV ATP 0.00001346 0.57329 7.28155
154 2BCG GDP 0.0004222 0.45255 7.28155
155 3A4M ADP 0.000002743 0.6018 7.30769
156 1KK1 GNP 0.0000886 0.51778 7.31707
157 1R6B ADP 0.00001398 0.54203 7.35294
158 5N69 ADP 0.0001383 0.48373 7.35294
159 4IHQ ADP 0.001817 0.45293 7.35294
160 3EC1 GDP 0.001938 0.44135 7.35294
161 4YS0 ADP 0.001938 0.42811 7.35294
162 4R98 GNH 0.00107 0.4053 7.38007
163 3GJX GTP 0.001233 0.44373 7.40741
164 2HT6 GDP 0.00002793 0.54256 7.47126
165 3SBD GNP 0.0004647 0.4144 7.48663
166 1W5T ADP 0.0000889 0.48683 7.52427
167 1W5T ANP 0.0001162 0.46785 7.52427
168 2J0V GDP 0.000151 0.49347 7.54717
169 1HTW ADP 0.0003031 0.47923 7.59494
170 3CPJ GDP 0.0003845 0.46381 7.62332
171 2PL3 ADP 0.0009967 0.46583 7.62712
172 1DAR GDP 0.0005869 0.47129 7.64706
173 5LTJ ADP 0.0005829 0.41956 7.64706
174 4PPF FLC 0.000005583 0.5944 7.71429
175 3LRE ADP 0.000002004 0.63012 7.72059
176 2Y65 ADP 0.00001895 0.57296 7.72059
177 4LC1 GDP 0.0001063 0.50704 7.72059
178 4UP4 GAL NAG 0.004071 0.4507 7.72059
179 1MR3 G3D 0.0004611 0.47067 7.73481
180 3SFV GDP 0.0003216 0.44934 7.73481
181 2EFE GNH 0.001083 0.44364 7.73481
182 5M04 GDP 0.0003106 0.41678 7.77778
183 1D2E GDP 0.0005785 0.45585 7.80856
184 1YZG GDP 0.0003702 0.47515 7.82123
185 1XX6 ADP 0.004793 0.42731 7.8534
186 4H1V GNP 0.003897 0.41478 7.85908
187 4U5X GNP 0.0004965 0.44953 7.86517
188 3IUY AMP 0.01225 0.40759 7.89474
189 3CNL GNP 0.000107 0.51374 8.01527
190 2ZR9 DTP 0.0005368 0.47316 8.02292
191 1D5C GDP 0.0002895 0.46434 8.02469
192 1OFH ADP 0.0000222 0.5258 8.06452
193 2NCD ADP 0.00001933 0.56558 8.08823
194 2WOJ ADP ALF 0.00002134 0.45805 8.08823
195 3QDK QDK 0.01308 0.4276 8.08823
196 3BFX A3P 0.005153 0.40588 8.10811
197 1M7B GTP 0.0006409 0.43651 8.15217
198 3TKL GTP 0.0002044 0.43397 8.2397
199 4P3Y GDP 0.0001157 0.51205 8.24176
200 4LPS GDP 0.0002517 0.48303 8.26446
201 1YVD GNP 0.0006679 0.41002 8.28402
202 1B7T ADP 0.0001677 0.48549 8.33333
203 2OG2 MLI 0.00008464 0.51712 8.35655
204 4HDO GNP 0.0005081 0.40778 8.38323
205 3X1Z GNP 0.0005923 0.40037 8.38323
206 2D2F ADP 0.0002284 0.50732 8.4
207 1KK8 BEF ADP 0.0004936 0.45417 8.44156
208 4FCW ADP 0.00003664 0.52237 8.45588
209 4HSE ADP 0.00003784 0.52171 8.45588
210 4DCT GDP 0.0002966 0.47968 8.45588
211 4P4T GDP 0.002235 0.42147 8.45588
212 5L3R GCP 0.0005179 0.41974 8.45588
213 2GCO GNP 0.0003041 0.4634 8.45771
214 2GCN GDP 0.0005674 0.43107 8.45771
215 2X77 GDP 0.00107 0.45349 8.46561
216 1Z06 GNP 0.0008132 0.41222 8.46561
217 1L2T ATP 0.00008274 0.44918 8.51064
218 3NKV GNP 0.0002197 0.42681 8.57143
219 1KO8 6PG 0.002284 0.42107 8.57143
220 1Z0A GDP 0.00007875 0.50055 8.62069
221 3RWO GDP 0.0005904 0.41186 8.64865
222 5L3V GDP 0.000557 0.46156 8.69565
223 2C04 GCP 0.00566 0.40766 8.75421
224 5WDR GNP 0.0005045 0.46096 8.77193
225 4B47 GDP 0.0001953 0.50081 8.81543
226 1FP6 ADP 0.00004354 0.50624 8.82353
227 1PVS 7HP 0.0364 0.408 8.86525
228 5K5Z ANP 0.0000101 0.48477 8.9172
229 5KSZ GCP 0.0003615 0.47018 8.96226
230 2C9O ADP 0.0002827 0.45205 8.99123
231 4HI0 GDP 0.0004418 0.44328 9.0566
232 1OXV ANP 0.000007637 0.5704 9.06516
233 3GJ4 GDP 0.0001719 0.49698 9.09091
234 4D0N GDP 0.00007969 0.51307 9.18919
235 2BEK ATP 0.00005062 0.47369 9.19118
236 4ZKD GDP 0.004287 0.4197 9.19118
237 2ZJ5 ADP 0.01281 0.41695 9.19118
238 2QTV GNP 0.00159 0.40218 9.19118
239 1KSH GDP 0.002682 0.41142 9.21053
240 2IXE ATP 0.0005542 0.43249 9.22509
241 1OW3 GDP 0.0001531 0.46411 9.32642
242 4WOP CTP 0.000194 0.4584 9.33333
243 1CXZ GSP 0.0004414 0.43545 9.34066
244 3AB3 GDP 0.00144 0.42191 9.34959
245 1G16 GDP 0.0005218 0.4331 9.41177
246 1Z08 GNP 0.001759 0.40657 9.41177
247 1NRJ GTP 0.001839 0.41803 9.49367
248 2F9L GDP 0.0005412 0.42518 9.54774
249 2OFW ADX 0.0002631 0.49002 9.61539
250 1WF3 GNP 0.0004775 0.41025 9.63455
251 2WJH GDP 0.0008388 0.45845 9.63855
252 2WJH FLC 0.002074 0.43533 9.63855
253 1NF3 GNP 0.0004348 0.41607 9.74359
254 3AQ4 GDP 0.0003115 0.47868 9.78261
255 1KMQ GNP 0.0004091 0.42923 9.78261
256 3K0T BGC 0.01984 0.40637 9.79021
257 3REF GDP 0.000636 0.42938 9.79381
258 1KY3 GDP 0.0003182 0.46749 9.89011
259 1PUJ GNP 0.000514 0.45815 9.92647
260 5J1J ANP 0.0001428 0.44913 9.92647
261 2FSH ANP 0.003167 0.44099 9.92647
262 2WKQ GTP 0.0004338 0.4287 9.93976
263 5EE5 GTP 0.001082 0.43908 9.94152
264 1UPT GTP 0.001402 0.41632 9.94152
265 2A5J GDP 0.0001678 0.48548 9.94764
266 1GRN GDP 0.0001873 0.47263 9.94764
267 4ITR GDP 0.0009344 0.43774 9.94764
268 2GK6 ADP 0.0004062 0.49162 10
269 2WMO GTP 0.0002888 0.47465 10
270 4XOI GTP 0.0004428 0.45986 10
271 4LJ9 ACP 0.00004599 0.52457 10.0295
272 4KAX GTP 0.001484 0.41496 10.0592
273 1F9V ADP 0.0000335 0.55276 10.0865
274 1VG0 GDP 0.0004128 0.46242 10.1449
275 1VG8 GNP 0.0006643 0.40418 10.1449
276 1TX4 ALF GDP 0.0003014 0.43451 10.1695
277 1KAO GDP 0.0003477 0.46085 10.1796
278 4E03 ADP 0.0001131 0.49937 10.1942
279 3GJ7 GDP 0.0001932 0.49454 10.2041
280 4CVN ADP 0.00007032 0.53029 10.219
281 2AWN ADP 0.0000003375 0.66632 10.2362
282 2XTN GTP 0.0005747 0.42499 10.2564
283 3BC1 GNP 0.0003516 0.41927 10.2564
284 3W5J GDP 0.00004426 0.55098 10.2941
285 5VGR GDP 0.0002361 0.46823 10.2941
286 1Y3A GDP 0.001544 0.40754 10.2941
287 1GP2 GDP 0.001725 0.40595 10.2941
288 1M2O GNP 0.001513 0.40303 10.2941
289 1GOJ ADP 0.000003275 0.61775 10.4225
290 3N5C GDP 0.0001505 0.49977 10.4938
291 4YC7 GNP 0.000471 0.45477 10.4972
292 3DKP ADP 0.001729 0.44868 10.6122
293 5JCZ GDP 0.0004307 0.45218 10.6145
294 1SQ5 ADP 0.0001185 0.49841 10.6618
295 1UJ2 C5P 0.0003301 0.41251 10.7143
296 1UJ2 ADP 0.0005043 0.40575 10.7143
297 4LX0 BEF GDP 0.0007998 0.45208 10.7345
298 2J5V PCA 0.03211 0.40836 10.8992
299 4XSH GSP 0.0004565 0.45109 10.9589
300 1GOT GDP 0.001194 0.41837 10.9589
301 4YLG GDP 0.0006968 0.43719 10.9827
302 4C4P GNP 0.0006498 0.40445 10.9827
303 1OIX GDP 0.0004121 0.46308 10.9948
304 1OIV GDP 0.001098 0.44428 10.9948
305 4M9Q GNP 0.002565 0.40585 11.0132
306 2X7I CIT 0.01603 0.40193 11.0294
307 5IRR GSP 0.0004401 0.43641 11.039
308 4ZI2 GNP 0.002437 0.40661 11.0526
309 1B0U ATP 0.003863 0.41884 11.0687
310 4GOJ GNP 0.002245 0.40785 11.1111
311 3R7F CP 0.01287 0.41811 11.1842
312 1GWN GTP 0.000638 0.43663 11.2195
313 5H56 ADP 0.002735 0.43285 11.2821
314 5H56 TYD 0.002735 0.43285 11.2821
315 1RRC ADP 0.00002295 0.56556 11.2957
316 4OI4 ATP 0.000778 0.41952 11.3043
317 1VG1 GDP 0.0001174 0.4986 11.3514
318 1VG9 GDP 0.0003287 0.43185 11.3514
319 1YZN GNP 0.0003645 0.4134 11.3514
320 2PZE ATP 0.00001235 0.58029 11.3537
321 1Z6T ADP 0.0001736 0.47408 11.3971
322 5I0H ADP BEF 0.0004694 0.45275 11.4108
323 2ODE ALF GDP 0.001045 0.45014 11.4286
324 1A4R GNH 0.000562 0.4517 11.5183
325 1A4R GDP 0.000676 0.44378 11.5183
326 3Q9L ATP 0.000209 0.47054 11.5385
327 1FZQ GDP 0.0002928 0.48584 11.6022
328 3COB ADP 0.00001538 0.57543 11.6531
329 4ZNL BEF ADP 0.00003087 0.46872 11.6788
330 1ZD9 GDP 0.002055 0.42305 11.7021
331 5MVR ADP 0.000101 0.43858 11.7284
332 5IRN ADP 0.0001288 0.45991 11.7647
333 4KFU ACP 0.00007705 0.53289 11.7925
334 2BME GNP 0.0003517 0.41892 11.828
335 1M7G AV2 0.0002764 0.49336 11.8483
336 1M7G ADP 0.001441 0.44388 11.8483
337 3M1I GTP 0.0007752 0.40166 11.8721
338 2FH5 GTP 0.001246 0.42509 11.8919
339 4R2I ANP 0.009658 0.42167 11.9048
340 1W7J ADP BEF 0.0002733 0.46543 11.9205
341 2NGR GDP 0.00006121 0.51189 11.9658
342 1O3Y GTP 0.001873 0.40472 12.0482
343 2J59 GTP 0.002241 0.40185 12.0482
344 1GXU 2HP 0.0007808 0.44288 12.0879
345 1F6B GDP 0.0005928 0.46554 12.1212
346 1RE0 GDP 0.0001896 0.50146 12.1951
347 1S9D GDP 0.0004654 0.47048 12.1951
348 3E70 GDP 0.001449 0.44728 12.1951
349 5J1S ATP 0.0001511 0.44027 12.1951
350 3WXM GTP 0.001527 0.4012 12.234
351 4QM7 GTP 0.0000136 0.55007 12.2807
352 1U0J ADP 0.003105 0.44141 12.3596
353 1I9Z 2IP 0.02001 0.40068 12.3919
354 2W2X GSP 0.0004413 0.44342 12.4324
355 5IRC GDP 0.0007952 0.42107 12.4378
356 2D7D ADP 0.00005186 0.52206 12.5
357 3VX3 ADP 0.0003211 0.45765 12.5
358 4RD0 GDP 0.0006549 0.44855 12.5
359 1ZC3 GNP 0.0004321 0.40985 12.5714
360 1GUA GNP 0.0005524 0.40674 12.5749
361 1XPJ TLA 0.02456 0.40374 12.6984
362 5L3W GDP 0.001175 0.41776 12.7451
363 2VB6 ADP BEF 0.0001689 0.47623 12.7517
364 1F2U ATP 0.0004472 0.41085 12.7517
365 2GJ8 ALF GDP 0.0009665 0.40026 12.7907
366 1CR1 TTP 0.0001981 0.46894 12.8378
367 1G6H ADP 0.000004339 0.60108 12.8405
368 3QBT GNP 0.0003443 0.41954 12.8571
369 2VF7 ADP 0.000586 0.46578 12.8631
370 3RLF ANP 0.00005256 0.46492 12.8676
371 1H65 GDP 0.0002725 0.44434 12.963
372 1U8Z GDP 0.0005305 0.4245 13.0952
373 5L3S GNP 0.0004327 0.4603 13.1757
374 4ZG4 VO4 ADP 0.0003974 0.45999 13.2353
375 2WJG GDP 0.0002903 0.48602 13.2979
376 1J2J GTP 0.002436 0.40082 13.3333
377 3B7G ANP 0.001827 0.44256 13.4783
378 2XAU ADP 0.0006133 0.45964 13.5294
379 1NST A3P 0.007105 0.40331 13.6029
380 1LVG ADP 0.00005015 0.53774 13.6364
381 1YRB GDP 0.0001323 0.48459 13.7405
382 4R43 GDP 0.000313 0.48445 13.9216
383 1Z0F GDP 0.0000562 0.51363 13.9665
384 2RCN GDP 0.0001032 0.50766 13.9665
385 4YMU ATP 0.00007635 0.52098 14.0909
386 1Y63 ADP 0.0002018 0.49363 14.1304
387 4D0G GTP 0.0002714 0.46517 14.2857
388 3FYH ADP 0.0001659 0.43741 14.2857
389 3T5G GDP 0.0004307 0.43176 14.3646
390 3QF7 ANP 0.0003199 0.45772 14.5205
391 1XTQ GDP 0.001014 0.41457 14.6893
392 5UWI GNP 0.001187 0.44447 14.7059
393 5UWU GNP 0.001194 0.44436 14.7059
394 5UWP GNP 0.001303 0.44429 14.7059
395 3MJH GTP 0.0007923 0.40661 14.7059
396 4BQS ADP 0.0002973 0.48552 14.7727
397 5E5U MLI 0.001717 0.45876 14.7727
398 4BQS K2Q 0.005921 0.42398 14.7727
399 1QHH ATP 0.01388 0.40104 14.7826
400 1SVI GDP 0.00008755 0.51804 14.8718
401 3LXR GDP 0.0001502 0.48768 15.1042
402 5KSP GDP 0.000227 0.48514 15.2632
403 2QZ4 ADP 0.00007312 0.50203 15.2672
404 5TSH ANP 0.0000889 0.44236 15.3527
405 5TSH ADP 0.0002426 0.40568 15.3527
406 3H4S ADP 0.000009229 0.58843 15.5556
407 3WY9 GDP 0.0001194 0.51138 15.625
408 2HV8 GTP 0.0004687 0.41548 15.625
409 1XEX ATP 0.0002609 0.42239 16.2791
410 3GJ8 GDP 0.0003621 0.47561 16.3043
411 2XT3 ADP 0.00001455 0.57698 16.5698
412 1ZJ6 G3D 0.0003937 0.4739 16.5775
413 1DS6 GDP 0.0001095 0.50642 16.6667
414 1Z0J GTP 0.00064 0.4044 16.9492
415 4PX9 ADP 0.0009401 0.4026 17.1233
416 5HPY GDP 0.0001817 0.46115 17.2414
417 1G8S MET 0.01365 0.4194 17.3913
418 5SZH GNP 0.0003514 0.46793 17.6471
419 5IFS ADP 0.00008452 0.4626 17.6471
420 5HR5 ADP 0.001004 0.43043 17.6471
421 3HU3 AGS 0.03866 0.43037 17.6471
422 1R4A GNP 0.00162 0.40159 17.6471
423 4V0K GDP 0.004161 0.40987 17.7515
424 4XTR ATP 0.0000155 0.52154 17.8261
425 4XVU ATP 0.00002065 0.51609 17.8261
426 4XTR ADP 0.00002692 0.50385 17.8261
427 4KVG GTP 0.0004243 0.41622 17.8571
428 3A1S GDP 0.0001084 0.50023 18.0147
429 2A9K GDP 0.0003162 0.46266 18.1818
430 3KTA AP5 0.0001619 0.48066 18.4971
431 5KDO GDP 0.0008843 0.4309 18.9189
432 2KIN ADP 0.000009555 0.41775 19
433 1FQJ GDP 0.001035 0.41425 19.0476
434 4DID GDP 0.0001939 0.48836 19.0789
435 2DT9 THR 0.01908 0.40227 19.1617
436 3T1O GDP 0.0005233 0.4628 19.1919
437 3T12 GDP ALF 0.001526 0.41418 19.1919
438 3CH5 GDP 0.0003841 0.4744 19.2308
439 2W58 ADP 0.000002337 0.6251 19.3069
440 1UAD GNP 0.0004013 0.41702 19.4286
441 3PQC GDP 0.0005984 0.46013 19.4872
442 3IO3 ADP 0.00008191 0.48312 19.5402
443 5BXQ GDP 0.0004027 0.42764 20.4724
444 4U00 ADP 0.00001043 0.42554 20.4918
445 2W83 GTP 0.001958 0.40395 20.7792
446 2D7C GTP 0.0005657 0.41196 21.4286
447 5KUT GDP 0.00005352 0.45958 21.6931
448 5UQW GDP 0.0005188 0.45684 22.2222
449 4DSU GDP 0.0004921 0.408 22.2222
450 5TAR GDP 0.0001744 0.4792 22.7027
451 5TB5 GDP 0.0001022 0.45613 22.7027
452 2ZTS ADP 0.0001641 0.47016 22.7092
453 2Y8E GNP 0.000717 0.40814 22.905
454 2EW1 GNP 0.0001915 0.44297 23.3831
455 3UIE ANP 0.00002364 0.52454 23.5
456 1JI0 ATP 0.00009607 0.52341 23.75
457 1TU3 GNP 0.0005848 0.41066 24.0506
458 3DDC GNP 0.0003228 0.41436 24.0964
459 2C5L GTP 0.0002578 0.41736 24.2775
460 5XCO GDP 0.0001569 0.45671 24.5614
461 4K81 GTP 0.0004689 0.40434 24.5614
462 1NVU GTP 0.0003377 0.41346 24.6988
463 5O2T GSP 0.0002476 0.4179 24.8521
464 5E95 GDP 0.0002558 0.4667 25
465 2OM2 GDP 0.001075 0.42751 25
466 1CLU DBG 0.001041 0.46574 25.3012
467 5UFQ GNP 0.0004143 0.46298 25.3012
468 3KUD GDP 0.000239 0.45431 25.3012
469 1WQ1 AF3 0.0039 0.44979 25.3012
470 1WQ1 GDP 0.0001858 0.44309 25.3012
471 2UZI GTP 0.0002716 0.42295 25.3012
472 1NVV GNP 0.0003323 0.41391 25.3012
473 1LFD GNP 0.0002576 0.42391 26.9461
474 5X40 ACP 0.0004711 0.45676 27.0548
475 1EK0 GNP 0.0004825 0.41424 29.4118
476 5UWR GNP 0.001125 0.44551 29.6296
477 3ZS9 ADP ALF 0.00001813 0.46095 34.2105
478 4HDQ GNP 0.0005164 0.40784 34.6154
479 5UWT GNP 0.001113 0.44572 34.7826
480 5BQ5 ADP BEF 0.0002831 0.47505 34.9206
481 1Z0K GTP 0.0004108 0.43012 37.6812
482 2HCJ GDP 0.0001205 0.51118 37.8378
483 2VOH CIT 0.02269 0.41822 46.1538
484 2QN6 GDP 0.0001094 0.51327 50
Pocket No.: 2; Query (leader) PDB : 1W0J; Ligand: ADP BEF; Similar sites found: 32
This union binding pocket(no: 2) in the query (biounit: 1w0j.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BRE C2E 0.02281 0.41059 4.46927
2 2O0J ADP 0.02076 0.40642 5.19481
3 4RLQ 3SK 0.01809 0.4095 5.29412
4 2XTZ GSP 0.001558 0.40013 5.51471
5 1YZQ GNP 0.0009856 0.40308 5.88235
6 3MWL 8OX 0.02683 0.40066 6.28019
7 5HWK BEZ 0.01645 0.41323 6.66667
8 1HE1 AF3 0.02675 0.40373 6.81818
9 4MXP DB4 0.011 0.4038 7.0122
10 1IBR GNP 0.001229 0.40057 7.40741
11 2Z5F A3P 0.00599 0.4016 8.38926
12 3BER AMP 0.01389 0.40674 8.83534
13 1P77 ATR 0.02042 0.40679 9.55882
14 1O9W NAG 0.01435 0.42031 10.1695
15 2ZX2 RAM 0.02736 0.40219 10.7692
16 5H68 AGS 0.0002702 0.40159 11.0294
17 1KSK URA 0.02695 0.40415 12.3932
18 2CJZ PTR 0.02407 0.40439 13.9706
19 1X6V ADP 0.0003863 0.40458 14.7059
20 5UWH GNP 0.0009636 0.40396 14.7059
21 5UWJ GNP 0.001015 0.40329 14.7059
22 5DIF GNP 0.001133 0.40167 14.7059
23 5DHF GNP 0.001154 0.40147 14.7059
24 5UWO GNP 0.001154 0.40141 14.7059
25 5UWW GNP 0.001181 0.40115 14.7059
26 5DI3 GNP 0.004555 0.40063 15.1351
27 3WYG GTP 0.0008866 0.40072 18.4211
28 3DOE GTP 0.003189 0.40068 18.7879
29 1FQJ ALF 0.02746 0.40365 19.0476
30 1X1R GDP 0.001111 0.40008 20.7865
31 2FFQ GSP 0.0008795 0.40468 26.9006
32 5UWQ GNP 0.001082 0.40227 36.3636
Pocket No.: 3; Query (leader) PDB : 1W0J; Ligand: ADP; Similar sites found: 522
This union binding pocket(no: 3) in the query (biounit: 1w0j.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1YTM ATP 0.0004292 0.43105 2.20588
2 4IDN GNP 0.000241 0.43054 2.20588
3 4AG5 ADP 0.00002942 0.55037 2.29592
4 5FTB ANP 0.000119 0.4873 2.54042
5 5FHD ADP ALF 0.0002548 0.43805 2.54042
6 1BG2 ADP 0.0000003333 0.66758 2.57353
7 4IEE AGS 0.0001486 0.50171 2.57353
8 4NCN GTP 0.00005518 0.45057 2.57353
9 3EZ2 ADP 0.001519 0.45238 2.76382
10 4TMZ GSP 0.00006243 0.4484 2.89855
11 1WDT GTP 0.00009575 0.46553 2.94118
12 3FKQ ATP 0.0002568 0.457 2.94118
13 1IHU AF3 0.0001045 0.44658 2.94118
14 1IHU ADP 0.0001165 0.43705 2.94118
15 1AZT GSP 0.00006374 0.41291 2.98507
16 2JLR ANP 0.000459 0.45566 3.30882
17 4OHY ANP 0.0001372 0.42688 3.30882
18 3TBK ANP 0.0003198 0.49211 3.3195
19 3DEF GDP 0.0000577 0.49554 3.43511
20 4BAS GNP 0.00003212 0.46625 3.51759
21 3U6B GDP 0.000002573 0.58776 3.5533
22 4G5G GDP 0.000006274 0.56048 3.5533
23 3U6K GDP 0.00001042 0.54999 3.5533
24 5JBQ GDP 0.000004384 0.51296 3.5533
25 1D8T GDP 0.000006642 0.5593 3.56234
26 2BVN GNP 0.00003257 0.50653 3.56234
27 1NJF ADP 0.00002611 0.48829 3.6
28 1NJF AGS 0.00001527 0.47939 3.6
29 4J0Q GDP 0.000003247 0.58282 3.67647
30 1MKY GDP 0.00000396 0.56999 3.67647
31 3ZFD ANP 0.00008489 0.49394 3.67647
32 1IN4 ADP 0.00006375 0.47233 3.67647
33 4XGU ADP 0.0002242 0.46062 3.67647
34 1NY5 ADP 0.0003777 0.44957 3.67647
35 1D2N ANP 0.0003502 0.434 3.67647
36 1OYY AGS 0.006693 0.41628 3.67647
37 5I34 GDP 0.002822 0.4127 3.67647
38 3WYA GDP 0.000006302 0.56039 3.68664
39 2CE7 ADP 0.00004683 0.50565 3.78151
40 5HCN GCP 0.00001599 0.53376 3.83142
41 4FRZ ADP 0.000008527 0.57836 3.88601
42 3NHB ADP 0.00002771 0.55187 3.92157
43 2B8W ALF 5GP 0.0002556 0.41627 3.96341
44 1V8K ANP 0.000041 0.52167 4.04412
45 2QEN ADP 0.00003165 0.49569 4.04412
46 4PFO ADP 0.00038 0.47416 4.04412
47 3DC4 ADP 0.00001191 0.56382 4.06977
48 4JLV ADP 0.006473 0.42158 4.08922
49 4KBF AMP 0.001886 0.44779 4.10959
50 1TQ4 GDP 0.00003549 0.47301 4.11622
51 1VHT BA3 0.000562 0.45673 4.12844
52 3T34 GDP 0.0006642 0.40954 4.16667
53 1JJ7 ADP 0.000002613 0.61645 4.23077
54 4NON GDP 0.00004004 0.42551 4.23077
55 1G6O ADP 0.0000586 0.50124 4.24242
56 5JCP GDP ALF 0.00007066 0.48049 4.29594
57 4YDS ATP 0.000009742 0.5682 4.38596
58 1XKV ATP 0.0004199 0.46247 4.41176
59 5M7P ADP 0.0006261 0.45431 4.41176
60 1QHG ATP 0.005398 0.40822 4.41989
61 2FNA ADP 0.00004654 0.45774 4.48179
62 4D81 ADP 0.0002124 0.47048 4.59364
63 2C77 GNP 0.0000415 0.4699 4.69136
64 2C78 GNP 0.00004101 0.46113 4.69136
65 1XMV ADP 0.000007013 0.55038 4.77528
66 3FWY ADP 0.000098 0.47444 4.77707
67 5LB3 ADP 0.0001537 0.501 4.77941
68 4GOX A3P 0.0006766 0.40964 4.79233
69 3BFV ADP 0.0001894 0.49004 4.79705
70 2VVG ADP 0.000002282 0.61853 4.85714
71 3IIJ ADP 0.00006998 0.51062 5
72 5CK5 GDP 0.00001882 0.4798 5.06329
73 4DKX GDP 0.000003495 0.57257 5.09259
74 3MD0 GDP 0.00001444 0.55116 5.14706
75 2ZPA ADP 0.00005447 0.47513 5.14706
76 3RC3 ANP 0.004152 0.43102 5.14706
77 1T5C ADP 0.0000006549 0.64936 5.15759
78 1YQT ADP 0.00001996 0.5595 5.18672
79 2O0J ADP 0.003403 0.44054 5.19481
80 3ZQ6 ADP ALF 0.0002977 0.4019 5.24691
81 3FVQ ATP 0.0009874 0.41533 5.29248
82 1JWY GDP 0.00004612 0.49985 5.29412
83 1JWY ADP 0.0001425 0.48966 5.29412
84 3B9Q MLI 0.00015 0.52028 5.29801
85 3RAB GNP 0.00003457 0.44062 5.32544
86 2FAH GDP 0.0004633 0.45548 5.4902
87 4A4Z ANP 0.002591 0.43594 5.51471
88 2XTZ GSP 0.00004636 0.43565 5.51471
89 2QG6 NMN 0.0001012 0.41301 5.52764
90 5XDR ADP 0.0004261