Receptor
PDB id Resolution Class Description Source Keywords
2GQR 2 Å EC: 6.3.2.6 SAICAR SYNTHETASE COMPLEXED WITH ADP-MG2+ ESCHERICHIA COLI PURC ADE2 ADE1 NUCLEOTIDE COMPLEX OCTAHEDRAL MAGNESIUM COORDINATION ALTERNATE FOLDING LIGASE
Ref.: NUCLEOTIDE COMPLEXES OF ESCHERICHIA COLI PHOSPHORIBOSYLAMINOIMIDAZOLE SUCCINOCARBOXAMIDE SYNTHETASE. J.BIOL.CHEM. V. 281 20680 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:238;
B:238;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:239;
B:239;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GQR 2 Å EC: 6.3.2.6 SAICAR SYNTHETASE COMPLEXED WITH ADP-MG2+ ESCHERICHIA COLI PURC ADE2 ADE1 NUCLEOTIDE COMPLEX OCTAHEDRAL MAGNESIUM COORDINATION ALTERNATE FOLDING LIGASE
Ref.: NUCLEOTIDE COMPLEXES OF ESCHERICHIA COLI PHOSPHORIBOSYLAMINOIMIDAZOLE SUCCINOCARBOXAMIDE SYNTHETASE. J.BIOL.CHEM. V. 281 20680 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2GQR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2GQR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2GQR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 435
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 AQP 0.887324 1
5 5FA 0.887324 1
6 AP5 0.884058 0.971831
7 B4P 0.884058 0.971831
8 BA3 0.869565 0.971831
9 AN2 0.84507 0.985915
10 M33 0.833333 0.958333
11 ACQ 0.826667 0.972222
12 A 0.823529 0.971429
13 AMP 0.823529 0.971429
14 ACP 0.821918 0.972222
15 AR6 0.810811 0.971831
16 APR 0.810811 0.971831
17 ANP 0.802632 0.972222
18 AD9 0.8 0.972222
19 AGS 0.8 0.945946
20 SAP 0.8 0.945946
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 TAT 0.779221 0.958904
24 AMP MG 0.774648 0.891892
25 50T 0.773333 0.958333
26 ABM 0.763889 0.917808
27 APC 0.763158 0.958904
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.958904
30 A22 0.753086 0.985915
31 A12 0.743243 0.958904
32 AP2 0.743243 0.958904
33 ADP MG 0.736842 0.905405
34 SRA 0.736111 0.918919
35 ADQ 0.73494 0.945205
36 25L 0.732558 0.985915
37 ADP BEF 0.727273 0.881579
38 BEF ADP 0.727273 0.881579
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 ADP PO3 0.708861 0.943662
44 PAP 0.708861 0.985714
45 ATR 0.708861 0.971429
46 SRP 0.707317 0.906667
47 7D3 0.706667 0.905405
48 25A 0.702381 0.971831
49 ATP MG 0.7 0.905405
50 OAD 0.697674 0.945205
51 RBY 0.6875 0.932432
52 ADV 0.6875 0.932432
53 00A 0.686047 0.883117
54 5SV 0.682353 0.848101
55 8QN 0.682353 0.931507
56 OOB 0.682353 0.931507
57 3OD 0.681818 0.945205
58 BIS 0.681818 0.933333
59 ADP ALF 0.674699 0.87013
60 ALF ADP 0.674699 0.87013
61 AMO 0.674419 0.932432
62 4AD 0.674419 0.92
63 PAJ 0.674419 0.884615
64 GAP 0.670732 0.893333
65 MAP 0.670588 0.945946
66 DLL 0.666667 0.931507
67 ANP MG 0.666667 0.894737
68 VO4 ADP 0.666667 0.931507
69 AHX 0.666667 0.896104
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LAD 0.651685 0.860759
75 WAQ 0.651685 0.883117
76 PR8 0.651685 0.85
77 ITT 0.65 0.943662
78 7D4 0.65 0.905405
79 G5P 0.648936 0.921053
80 RAB 0.647059 0.84507
81 ADN 0.647059 0.84507
82 XYA 0.647059 0.84507
83 TXA 0.644444 0.932432
84 1ZZ 0.644444 0.839506
85 ME8 0.644444 0.839506
86 NB8 0.644444 0.896104
87 FYA 0.644444 0.905405
88 6AD 0.642857 0.909091
89 ADP BMA 0.640449 0.918919
90 G3A 0.638298 0.921053
91 DAL AMP 0.632184 0.905405
92 AFH 0.631579 0.884615
93 9SN 0.630435 0.871795
94 GTA 0.625 0.886076
95 YAP 0.623656 0.894737
96 FA5 0.623656 0.906667
97 UP5 0.622449 0.92
98 XAH 0.617021 0.839506
99 AV2 0.616279 0.917808
100 AOC 0.615385 0.821918
101 48N 0.612245 0.896104
102 4UV 0.610526 0.894737
103 TXD 0.606061 0.907895
104 DND 0.606061 0.932432
105 NAX 0.606061 0.873418
106 NXX 0.606061 0.932432
107 NAI 0.606061 0.907895
108 6V0 0.606061 0.896104
109 5N5 0.605634 0.819444
110 5AS 0.604938 0.77907
111 A4P 0.60396 0.843373
112 DAT 0.60241 0.905405
113 A2R 0.602273 0.985915
114 TXE 0.6 0.907895
115 OMR 0.6 0.851852
116 4UU 0.597938 0.894737
117 A A 0.597826 0.944444
118 A4D 0.597222 0.819444
119 5CD 0.597222 0.805556
120 AP0 0.594059 0.896104
121 4TC 0.594059 0.896104
122 A3P 0.592593 0.971429
123 139 0.592233 0.873418
124 T5A 0.592233 0.841463
125 7D5 0.592105 0.878378
126 ATP A A A 0.589474 0.930556
127 LAQ 0.585859 0.839506
128 MYR AMP 0.585106 0.817073
129 YLP 0.58 0.819277
130 UPA 0.578431 0.907895
131 7DD 0.578313 0.985714
132 ADJ 0.576923 0.851852
133 3AM 0.576923 0.929577
134 COD 0.575472 0.811765
135 NAD 0.575472 0.931507
136 3AT 0.574713 0.971831
137 JB6 0.574468 0.883117
138 4UW 0.574257 0.860759
139 EP4 0.573333 0.753247
140 A2P 0.573171 0.957143
141 CNA 0.571429 0.932432
142 TYM 0.568627 0.906667
143 PPS 0.568182 0.873418
144 TYR AMP 0.56701 0.881579
145 DTA 0.565789 0.786667
146 M2T 0.565789 0.734177
147 AR6 AR6 0.565657 0.917808
148 A3D 0.564815 0.918919
149 3DH 0.564103 0.773333
150 G5A 0.563218 0.77907
151 YLB 0.563107 0.819277
152 YLC 0.563107 0.839506
153 AMP DBH 0.561224 0.893333
154 MTA 0.558442 0.773333
155 DTP 0.556818 0.905405
156 AHZ 0.554455 0.817073
157 NA7 0.553191 0.958904
158 IOT 0.552381 0.831325
159 7MD 0.55 0.8625
160 ZAS 0.55 0.766234
161 IMO 0.548781 0.929577
162 YLA 0.54717 0.819277
163 NAE 0.544643 0.894737
164 TAD 0.544554 0.884615
165 A5A 0.544444 0.807229
166 2AM 0.544304 0.943662
167 TSB 0.543478 0.819277
168 6RE 0.54321 0.759494
169 AYB 0.542056 0.809524
170 NAQ 0.539823 0.871795
171 V3L 0.539326 0.971831
172 ARG AMP 0.539216 0.829268
173 AF3 ADP 3PG 0.538462 0.8375
174 SSA 0.538462 0.8
175 LA8 ALF 3PG 0.538462 0.8375
176 ALF ADP 3PG 0.538462 0.8375
177 ZID 0.535088 0.918919
178 LPA AMP 0.533981 0.817073
179 54H 0.532609 0.788235
180 52H 0.532609 0.77907
181 VMS 0.532609 0.788235
182 BTX 0.53211 0.841463
183 J7C 0.53012 0.769231
184 A3N 0.53012 0.786667
185 5X8 0.528736 0.763158
186 BT5 0.527273 0.831325
187 5CA 0.526882 0.8
188 53H 0.526882 0.77907
189 ARU 0.526316 0.860759
190 EAD 0.525862 0.873418
191 RGT 0.525253 0.958904
192 OVE 0.52439 0.905405
193 S4M 0.52381 0.666667
194 7DT 0.522727 0.985714
195 GDP 0.522222 0.92
196 DDS 0.522222 0.878378
197 AVV 0.521277 0.896104
198 NDE 0.521008 0.932432
199 7MC 0.518868 0.841463
200 DSH 0.518072 0.725
201 MAO 0.517647 0.759036
202 LSS 0.515789 0.761364
203 DSZ 0.515789 0.8
204 NSS 0.515789 0.8
205 P5A 0.515464 0.744444
206 DZD 0.513514 0.884615
207 NVA LMS 0.510417 0.761364
208 12D 0.509615 0.785714
209 NAD IBO 0.509091 0.87013
210 M24 0.508772 0.85
211 YLY 0.508772 0.809524
212 P1H 0.508333 0.851852
213 5AD 0.506849 0.746479
214 GJV 0.505882 0.75
215 LEU LMS 0.505155 0.761364
216 G A A A 0.504505 0.871795
217 4TA 0.504505 0.807229
218 NAJ PZO 0.504425 0.848101
219 KAA 0.5 0.752809
220 NDC 0.5 0.871795
221 7D7 0.5 0.743243
222 71V 0.5 0.907895
223 A3G 0.5 0.8
224 128 0.5 0.776471
225 GSU 0.5 0.77907
226 N0B 0.495726 0.819277
227 NJP 0.495495 0.945946
228 ODP 0.495495 0.909091
229 2SA 0.494624 0.932432
230 6C6 0.494505 0.881579
231 SFG 0.494382 0.75
232 0WD 0.491071 0.921053
233 YSA 0.490196 0.77907
234 PO4 PO4 A A A A PO4 0.489796 0.902778
235 6IA 0.48913 0.8375
236 SAM 0.48913 0.690476
237 A7D 0.488636 0.776316
238 6FA 0.488 0.841463
239 FB0 0.487805 0.804598
240 NAJ PYZ 0.487179 0.85
241 IDP 0.483516 0.918919
242 A5D 0.483516 0.786667
243 SA8 0.483516 0.707317
244 MHZ 0.483146 0.697674
245 PGS 0.483146 0.883117
246 D5M 0.482353 0.878378
247 DA 0.482353 0.878378
248 NEC 0.482353 0.746667
249 NIA 0.481928 0.822785
250 Y3J 0.480519 0.726027
251 FAD 0.480315 0.851852
252 FAS 0.480315 0.851852
253 FDA 0.48 0.833333
254 N6P 0.479592 0.915493
255 GGZ 0.479167 0.825
256 SAH 0.478261 0.74359
257 SAI 0.478261 0.734177
258 NPW 0.477477 0.886076
259 NDP 0.477477 0.921053
260 AAM 0.476744 0.971429
261 AMZ 0.47561 0.916667
262 C2R 0.47561 0.90411
263 A A A 0.474747 0.905405
264 GTP 0.473684 0.92
265 U A G G 0.473684 0.883117
266 SMM 0.473684 0.686047
267 TXP 0.473214 0.921053
268 NZQ 0.473214 0.909091
269 A3S 0.47191 0.810811
270 AMP NAD 0.470588 0.881579
271 SFD 0.46875 0.734043
272 AIR 0.468354 0.901408
273 AAT 0.468085 0.707317
274 EEM 0.468085 0.690476
275 Z5A 0.466667 0.77907
276 7C5 0.466667 0.818182
277 J7V 0.466667 0.833333
278 62F 0.465649 0.8625
279 FAY 0.462121 0.8625
280 ETB 0.461538 0.833333
281 DCA 0.461538 0.823529
282 A3T 0.461538 0.821918
283 A6D 0.46 0.722892
284 A U 0.459459 0.87013
285 6K6 0.459184 0.930556
286 GEK 0.459184 0.7375
287 RFL 0.458647 0.821429
288 S7M 0.458333 0.690476
289 NAP 0.458333 0.945205
290 4YB 0.457944 0.761364
291 WSA 0.454545 0.788235
292 TAP 0.454545 0.907895
293 FNK 0.454545 0.804598
294 COA 0.453782 0.823529
295 0T1 0.453782 0.823529
296 101 0.453488 0.878378
297 XNP 0.452174 0.873418
298 NA0 0.45082 0.932432
299 7RP 0.448276 0.928571
300 GP3 0.446809 0.921053
301 TM1 0.446602 0.77381
302 APU 0.446429 0.894737
303 PUA 0.445378 0.884615
304 V1N 0.443396 0.917808
305 7RA 0.443182 0.957747
306 30N 0.442623 0.752688
307 CAO 0.442623 0.795455
308 AMX 0.442623 0.833333
309 COS 0.442623 0.804598
310 ACK 0.44186 0.861111
311 QQY 0.44186 0.815789
312 649 0.441441 0.744444
313 0UM 0.44 0.698795
314 NHD 0.439655 0.905405
315 CMX 0.439024 0.823529
316 SCO 0.439024 0.823529
317 GCP 0.438776 0.896104
318 8BR 0.438202 0.906667
319 GNH 0.4375 0.907895
320 3AD 0.4375 0.805556
321 62X 0.435644 0.666667
322 ACO 0.435484 0.795455
323 FCX 0.435484 0.795455
324 FAM 0.435484 0.804598
325 GNP 0.434343 0.896104
326 NMX 0.433071 0.76087
327 MGP 0.43299 0.884615
328 PLP AAD 0.432203 0.741573
329 26A 0.432099 0.763158
330 HAX 0.432 0.804598
331 K15 0.431373 0.682353
332 DG1 0.430894 0.921053
333 1DG 0.430894 0.921053
334 QQX 0.430233 0.805195
335 2VA 0.430108 0.8
336 S8M 0.43 0.759494
337 2MC 0.429688 0.769231
338 3KK 0.428571 0.804598
339 6G0 0.428571 0.884615
340 FYN 0.428571 0.823529
341 P5F 0.428571 0.823529
342 NAD BBN 0.428571 0.841463
343 U G A 0.427481 0.839506
344 AS 0.426966 0.833333
345 FAI 0.426966 0.916667
346 RMB 0.426966 0.873239
347 1RB 0.425287 0.885714
348 MCD 0.425197 0.804598
349 OXK 0.425197 0.804598
350 COK 0.425197 0.804598
351 CA6 0.425197 0.729167
352 SOP 0.425197 0.804598
353 G1R 0.424242 0.907895
354 CC5 0.423077 0.816901
355 SXZ 0.423077 0.710843
356 F2N 0.422535 0.813953
357 NAD CJ3 0.422222 0.811765
358 ANZ 0.422018 0.8
359 CMC 0.421875 0.804598
360 CO6 0.421875 0.804598
361 1VU 0.421875 0.795455
362 ZDA 0.421053 0.864865
363 GDD 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDC 0.420561 0.884615
366 NFD 0.420168 0.883117
367 GSP 0.42 0.873418
368 D3Y 0.42 0.789474
369 MC4 0.419847 0.76087
370 3L1 0.419753 0.773333
371 3D1 0.419753 0.773333
372 FA9 0.41958 0.864198
373 5GP 0.419355 0.906667
374 G 0.419355 0.906667
375 KB1 0.419048 0.698795
376 SCD 0.418605 0.823529
377 CAJ 0.418605 0.804598
378 2BA 0.417582 0.915493
379 CMP 0.417582 0.901408
380 SO8 0.416667 0.789474
381 N01 0.416667 0.905405
382 VRT 0.416667 0.769231
383 3HC 0.415385 0.813953
384 A1S 0.415385 0.804598
385 BCO 0.415385 0.804598
386 IVC 0.415385 0.813953
387 MLC 0.415385 0.804598
388 1HE 0.415385 0.786517
389 NMN AMP PO4 0.415254 0.87013
390 2FA 0.414634 0.813333
391 MGO 0.414141 0.860759
392 3NZ 0.413462 0.782051
393 MCA 0.412214 0.795455
394 CAA 0.412214 0.813953
395 YE1 0.412214 0.813953
396 COO 0.412214 0.804598
397 GAV 0.411765 0.884615
398 P2P 0.411111 0.902778
399 JLN 0.411111 0.890411
400 ZZB 0.410256 0.77381
401 CNV FAD 0.410072 0.793103
402 SCA 0.409091 0.804598
403 RP1 0.409091 0.842105
404 103 0.409091 0.837838
405 2CP 0.409091 0.795455
406 SP1 0.409091 0.842105
407 PAX 0.408 0.829268
408 FAD NBT 0.407143 0.75
409 NVA 2AD 0.40625 0.74359
410 COW 0.406015 0.795455
411 BYC 0.406015 0.804598
412 2KQ 0.406015 0.786517
413 COF 0.406015 0.786517
414 3CP 0.406015 0.804598
415 IRC 0.406015 0.813953
416 1GZ 0.406015 0.795455
417 HGG 0.406015 0.804598
418 CA8 0.406015 0.729167
419 G2P 0.405941 0.884615
420 SLU 0.404959 0.770115
421 U A C C 0.404959 0.858974
422 RBZ 0.404494 0.849315
423 1CZ 0.404412 0.795455
424 BCA 0.402985 0.795455
425 FAQ 0.402985 0.804598
426 4CA 0.402985 0.795455
427 MTP 0.402439 0.730769
428 8OD 0.402062 0.945205
429 CO7 0.401515 0.804598
430 DAL FAD PER 0.401408 0.809524
431 G2R 0.4 0.884615
432 HXC 0.4 0.786517
433 ENQ 0.4 0.916667
434 GMV 0.4 0.896104
435 GRA 0.4 0.804598
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GQR; Ligand: ADP; Similar sites found: 220
This union binding pocket(no: 1) in the query (biounit: 2gqr.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5XG5 A2G 0.006872 0.43075 None
2 2DTJ THR 0.004954 0.42252 None
3 3F5O UOC COA 0.01197 0.40646 None
4 3ZW0 FUC 0.01963 0.40477 None
5 4OWK NGA 0.01506 0.40356 None
6 1GSA ADP 0.0007042 0.41538 0.843882
7 3ORK AGS 0.0003715 0.41203 0.843882
8 5CEO 50D 0.001276 0.43827 1.26582
9 5CJF 520 0.007962 0.40846 1.26582
10 5OO5 UUA 0.00679 0.4038 1.6129
11 5MW8 ATP 0.00001908 0.46985 1.68776
12 2ZV2 609 0.007662 0.41348 1.68776
13 2Z7R STU 0.001594 0.40797 1.68776
14 2PVF ACP 0.0007703 0.4457 2.1097
15 3V8S 0HD 0.000881 0.44312 2.1097
16 5DA3 58V 0.004636 0.42389 2.1097
17 3RI1 3RH 0.0001791 0.42053 2.1097
18 5X8I SQZ 0.002601 0.41545 2.1097
19 4COQ SAN 0.01838 0.40731 2.1097
20 5H2U 1N1 0.007921 0.40459 2.1097
21 5JSP DQY 0.01413 0.41186 2.48756
22 3X01 AMP 0.001651 0.45904 2.53165
23 5JZJ AN2 0.0005652 0.45166 2.53165
24 2PZI AXX 0.001099 0.44846 2.53165
25 5A6N U7E 0.001645 0.43548 2.53165
26 5LPB ADP 0.003504 0.42969 2.53165
27 5T9C G3P 0.00934 0.42068 2.53165
28 5LPZ ADP 0.002398 0.41738 2.53165
29 4DFU QUE 0.01053 0.41585 2.53165
30 5C4L 4XR 0.01104 0.41348 2.53165
31 2D24 XYS XYS 0.00872 0.41305 2.53165
32 2R5T ANP 0.001459 0.40888 2.53165
33 5C4L SIS 0.01482 0.40742 2.53165
34 4IDT T28 0.006967 0.4033 2.53165
35 5V1B 8UY 0.0199 0.40187 2.53165
36 5C1P ADP 0.01202 0.40012 2.53165
37 4LO2 GAL BGC 0.003144 0.4408 2.72109
38 2OVD DAO 0.01793 0.40662 2.74725
39 3AB4 THR 0.00602 0.41848 2.80899
40 3UDZ ADP 0.00001859 0.52282 2.95359
41 4XH0 ADP 0.001559 0.46082 2.95359
42 5HVJ ANP 0.00196 0.45795 2.95359
43 4D4U FUC NDG GAL FUC 0.002017 0.45544 2.95359
44 3FW3 ETS 0.003669 0.42874 2.95359
45 3WVR AMP 0.002908 0.42436 2.95359
46 5KO1 6UY 0.00287 0.42039 2.95359
47 4KS7 X4Z 0.0005359 0.41728 2.95359
48 4K38 SAM 0.005141 0.41325 2.95359
49 3TFC PEP 0.01261 0.41189 2.95359
50 4PZV J1D 0.0006695 0.40887 2.95359
51 2B9H ADP 0.00767 0.40544 2.95359
52 1JPA ANP 0.01669 0.40474 2.95359
53 4USF 6UI 0.009615 0.40464 2.95359
54 4G17 0VN 0.006284 0.4002 2.95359
55 2BKK ADP 0.002849 0.42054 2.95858
56 4IZY 1J2 0.001123 0.4178 2.98103
57 2IF8 ADP 0.002424 0.44794 3.0303
58 4L4J NAG NAG BMA MAN NAG 0.002588 0.44451 3.16742
59 2WQN ADP 0.0000955 0.49773 3.37553
60 4CLI 5P8 0.001475 0.4681 3.37553
61 4O1P ANP 0.0007453 0.44868 3.37553
62 2VPQ ANP 0.0001477 0.44238 3.37553
63 5I35 ANP 0.000997 0.44074 3.37553
64 1RE8 BD2 0.006365 0.43892 3.37553
65 4GYI ADP 0.001792 0.4386 3.37553
66 4OCV ANP 0.001092 0.42746 3.37553
67 4OAV ACP 0.003238 0.41807 3.37553
68 1K3A ACP 0.002711 0.41357 3.37553
69 3D91 REM 0.03657 0.41184 3.37553
70 3NW7 LGV 0.02354 0.41084 3.37553
71 4WB6 ATP 0.000312 0.41032 3.37553
72 3K5X P8D 0.009955 0.40804 3.37553
73 4D2S DYK 0.01011 0.40363 3.37553
74 3RGA LSB 0.007728 0.4013 3.37553
75 4K33 ACP 0.00161 0.41902 3.69231
76 2AGC DAO 0.003591 0.43411 3.7037
77 2WEL K88 0.0009527 0.47137 3.79747
78 2VN9 GVD 0.0008503 0.4647 3.79747
79 2X4Z X4Z 0.001272 0.46187 3.79747
80 2YAB AMP 0.00101 0.44498 3.79747
81 4YZC STU 0.003911 0.44099 3.79747
82 2V7O DRN 0.00285 0.43902 3.79747
83 4JDI ANP 0.0004037 0.43623 3.79747
84 3PLS ANP 0.001965 0.42769 3.79747
85 1PHK ATP 0.00272 0.42568 3.79747
86 4Y8D 49J 0.008087 0.42163 3.79747
87 5LXC 7AA 0.002565 0.41704 3.79747
88 3C0G 3AM 0.007542 0.40956 3.79747
89 5LXM ADP 0.005106 0.40929 3.79747
90 2VZ6 FEF 0.008708 0.40665 3.79747
91 2FB3 GTP 0.0145 0.40662 3.79747
92 5EFQ ADP 0.005586 0.40194 3.79747
93 2FB3 5AD 0.006076 0.40051 3.79747
94 2ET1 GLV 0.0176 0.40684 3.9801
95 4QM9 CYS 0.009814 0.41888 4.04624
96 5LI9 ACP 0.00007138 0.47303 4.21941
97 5LI1 ANP 0.00004684 0.46265 4.21941
98 1O9U ADZ 0.001036 0.46066 4.21941
99 5LVP ATP 0.0006938 0.45774 4.21941
100 3M2W L8I 0.001646 0.4403 4.21941
101 1Q8Y ADE 0.003794 0.43294 4.21941
102 1AUX AGS 0.001272 0.42931 4.21941
103 1Q8Y ADP 0.0007177 0.42583 4.21941
104 5GZ9 ANP 0.0003136 0.42484 4.21941
105 3ZRM ZRM 0.002402 0.41722 4.21941
106 3AKK ADP 0.006376 0.40905 4.21941
107 3VPB ADP 0.0006712 0.40832 4.21941
108 3ALN ANP 0.002551 0.40541 4.21941
109 2HW1 FRU 0.01869 0.40451 4.21941
110 3F7Z 34O 0.005353 0.40284 4.21941
111 5L8L ADP 0.001611 0.44578 4.2735
112 4GO7 THR 0.006082 0.41827 4.5
113 1ZZ7 S0H 0.02059 0.40112 4.54545
114 2Y7P SAL 0.01578 0.40697 4.58716
115 1KJ1 MAN 0.01063 0.40639 4.58716
116 5K2M ADP 0.0006449 0.46176 4.64135
117 3TXO 07U 0.002311 0.42889 4.64135
118 4OUJ LBT 0.003944 0.4279 4.64135
119 4YMJ 4EJ 0.01137 0.41584 4.64135
120 5AWM ANP 0.007713 0.41334 4.64135
121 4UX9 ANP 0.002064 0.40756 4.64135
122 3SRV S19 0.009117 0.40181 4.69314
123 4X5S AZM 0.02037 0.40279 4.74138
124 4CS9 AMP 0.009408 0.40849 4.7619
125 5UKL SIX 0.0008822 0.46065 4.83871
126 1U5R ATP 0.002536 0.42278 5.06329
127 3E7O 35F 0.007556 0.42127 5.06329
128 3TII ANP 0.001283 0.42019 5.06329
129 4MA6 28E 0.01384 0.40986 5.09554
130 1Y9Q MED 0.007339 0.43067 5.20833
131 3A6T 8OG 0.002478 0.42322 5.42636
132 2PUL ACP 0.0005239 0.45312 5.48523
133 4BFM ANP 0.0004333 0.43519 5.48523
134 5EOB 5QQ 0.01183 0.43137 5.48523
135 2F57 23D 0.00616 0.40955 5.48523
136 4CFU 2WC 0.008344 0.40356 5.48523
137 4BCQ TJF 0.01236 0.40354 5.48523
138 3FHI ANP 0.0002536 0.41033 5.84416
139 4FL3 ANP 0.0002906 0.4341 5.90717
140 4LH7 1X8 0.006226 0.43393 5.90717
141 4Q0L V14 0.002861 0.43373 5.90717
142 3KMW ATP 0.002507 0.423 5.90717
143 4FG8 ATP 0.0009046 0.42212 5.90717
144 2ZL7 FUC GAL NGA 0.01402 0.41321 5.90717
145 4F9C 0SX 0.004435 0.41201 5.90717
146 2QCS ANP 0.0002865 0.41035 5.90717
147 5UIU 8CG 0.01243 0.40977 5.90717
148 3OFM 4B0 0.007866 0.40871 5.90717
149 5W2I ADP 0.001066 0.40163 5.90717
150 5W2I I3P 0.001066 0.40163 5.90717
151 2A19 ANP 0.001968 0.44163 6.28571
152 5DBX ANP 0.0001 0.49679 6.32911
153 3Q60 ATP 0.0001815 0.47351 6.32911
154 3TDV GDP 0.0001198 0.47223 6.32911
155 2VQD AP2 0.0001831 0.44989 6.32911
156 3SLS ANP 0.0009339 0.41541 6.32911
157 4CC6 L5Y 0.009743 0.41287 6.32911
158 1YRO UDP 0.01499 0.40009 6.50407
159 3DAK ANP 0.001029 0.44483 6.75105
160 1M0W ANP 0.001816 0.42423 6.75105
161 5FPN KYD 0.01042 0.42149 6.75105
162 4NST ADP 0.005385 0.41036 6.75105
163 4H3Q ANP 0.000958 0.41001 6.75105
164 2CSN CKI 0.0005766 0.40244 6.75105
165 5LN8 GAL 0.002731 0.43045 6.87023
166 4XBA 5GP 0.008778 0.40256 7
167 4Y0X ADP 0.0001416 0.48387 7.173
168 2PYW ADP 0.00009062 0.46261 7.173
169 1TZD ADP 0.001797 0.45331 7.173
170 1IOW PHY 0.009418 0.42038 7.173
171 2F2U M77 0.005687 0.41966 7.173
172 4WW7 AMP 0.00141 0.41059 7.173
173 1IA9 ANP 0.0002072 0.45661 7.59494
174 5M06 ADP 0.0006566 0.45367 7.59494
175 4M69 ANP 0.001181 0.44401 7.59494
176 3GC0 AMP 0.005938 0.4144 7.59494
177 2GPT TLA 0.01762 0.40562 7.59494
178 3GQI ACP 0.004118 0.40741 7.9646
179 5IQD GNP 0.01189 0.41774 8.01688
180 5IQD RIO 0.01251 0.41774 8.01688
181 2HY0 306 0.006791 0.41168 8.01688
182 2QX0 PH2 0.00001597 0.43336 8.1761
183 5F90 LMR 0.003461 0.44998 8.33333
184 5F90 GLA GAL BGC 5VQ 0.01216 0.41729 8.33333
185 5F90 GLA GAL 0.01831 0.40527 8.33333
186 3HAV ATP 0.003335 0.4455 8.43882
187 1ZP9 ATP 0.005009 0.41364 8.43882
188 3RE4 TO1 0.007733 0.41329 8.43882
189 2QLU ADE 0.009127 0.41272 8.43882
190 1ZTH ADP 0.01023 0.40748 8.43882
191 4C2W ANP 0.001252 0.45098 8.86076
192 4OTH DRN 0.002274 0.40248 8.86076
193 3I0O ADP 0.01321 0.40216 8.86076
194 4OYA 1VE 0.03707 0.41213 9.2827
195 4WNP 3RJ 0.01012 0.40361 9.2827
196 2RIO ADP 0.001369 0.43464 9.70464
197 1TQP ATP 0.0002373 0.4274 9.70464
198 3WXL ADP 0.02252 0.40576 9.70464
199 1ZY5 ANP 0.007139 0.40283 9.70464
200 5C03 AGS 0.005948 0.40089 9.70464
201 5DMZ ADP 0.0001276 0.47037 10.1266
202 5DZT AMP 0.007435 0.42481 10.1266
203 2QL9 CIT 0.0004845 0.48393 10.4046
204 3VSV XYS 0.007698 0.42358 10.5485
205 2DT9 THR 0.01193 0.40855 10.7784
206 4IJP 1EH 0.004154 0.41934 10.9705
207 1W2D ADP 0.0003576 0.4769 11.3924
208 4AZT LY2 0.00963 0.40873 12.2363
209 2ZQO NGA 0.02226 0.40102 12.3077
210 4ZS4 ATP 0.00002242 0.49578 12.6582
211 3PDT ADP 0.0002831 0.47024 12.6582
212 5G1X ADP 0.001095 0.43893 12.6984
213 4ZGR NGA GAL 0.008174 0.42355 13.0802
214 5VNF VAL THR SER VAL VAL 0.01427 0.40472 13.0802
215 4LRJ ANP 0.00001125 0.52698 14.2012
216 4Q5H ANP 0.0001076 0.47437 15.7895
217 4L3L 5FI 0.008988 0.41641 16.8776
218 3KN5 ANP 0.002801 0.42086 20.2532
219 3LQV ADE 0.01081 0.42499 28.2051
220 4H3P ANP 0.003029 0.41274 29.1667
Pocket No.: 2; Query (leader) PDB : 2GQR; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2gqr.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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