Receptor
PDB id Resolution Class Description Source Keywords
4CZG 1.5 Å NON-ENZYME: OTHER C. CRESCENTUS MREB, SINGLE FILAMENT, ADP, A22 INHIBITOR CAULOBACTER VIBRIOIDES STRUCTURAL PROTEIN BACTERIAL ACTIN BACTERIAL CYTOSKELETON
Ref.: BACTERIAL ACTIN MREB FORMS ANTIPARALLEL DOUBLE FILA ELIFE V. 3 02634 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:1336;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:1337;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
QH3 A:1335;
Valid;
none;
submit data
235.134 C8 H8 Cl2 N2 S [H]/N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CZG 1.5 Å NON-ENZYME: OTHER C. CRESCENTUS MREB, SINGLE FILAMENT, ADP, A22 INHIBITOR CAULOBACTER VIBRIOIDES STRUCTURAL PROTEIN BACTERIAL ACTIN BACTERIAL CYTOSKELETON
Ref.: BACTERIAL ACTIN MREB FORMS ANTIPARALLEL DOUBLE FILA ELIFE V. 3 02634 2014
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4CZL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4CZF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 4CZH - F90 C8 H9 Cl N2 S [H]/N=C(N)....
4 4CZM - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
5 4CZG - QH3 C8 H8 Cl2 N2 S [H]/N=C(N)....
6 4CZJ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4CZL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4CZF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 4CZH - F90 C8 H9 Cl N2 S [H]/N=C(N)....
4 4CZM - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
5 4CZG - QH3 C8 H8 Cl2 N2 S [H]/N=C(N)....
6 4CZJ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4CZL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4CZF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 4CZH - F90 C8 H9 Cl N2 S [H]/N=C(N)....
4 4CZM - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
5 4CZG - QH3 C8 H8 Cl2 N2 S [H]/N=C(N)....
6 4CZJ - 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: QH3; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 QH3 1 1
2 F90 0.47619 0.933333
3 G00 0.472727 0.681818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CZG; Ligand: QH3; Similar sites found: 135
This union binding pocket(no: 1) in the query (biounit: 4czg.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.03747 0.40261 None
2 1PTR PRB 0.00231 0.47285 0.574713
3 2GMP NAG MAN 0.02751 0.41932 1.5873
4 2GN3 MAN 0.0336 0.40907 1.5873
5 4TO8 FLC 0.009456 0.42684 1.71233
6 4BR5 ANP 0.0000386 0.47066 1.72414
7 1OYY AGS 0.03177 0.40701 1.72414
8 4UP4 GAL NAG 0.01552 0.42868 2.01149
9 2YKX AKG 0.03928 0.41384 2.01149
10 4UP4 NAG 0.04771 0.4016 2.01149
11 4UP4 NDG 0.04771 0.4016 2.01149
12 2G2Y MLI 0.04109 0.40567 2.27273
13 4A2B AGS 0.00000002554 0.50668 2.58621
14 4A2A ATP 0.00000001607 0.50571 2.58621
15 3AAQ ARU 0.0005778 0.42356 2.58621
16 4MO4 ACP 0.0003151 0.41646 2.58621
17 4OHB 5HM 0.03148 0.40722 2.63158
18 3I9U DTU 0.001749 0.48861 2.6616
19 3HSS MLA 0.01639 0.40572 2.73038
20 2UYT ADP 0.00008667 0.4677 2.87356
21 2UYT LRH 0.00008667 0.4677 2.87356
22 5M8T 0TR 0.04376 0.40847 2.87356
23 2E2P ADP 0.01224 0.42071 3.01003
24 4O79 ASC 0.01058 0.40144 3.04348
25 3JQG AX6 0.03926 0.41045 3.125
26 2PUZ NIG 0.01475 0.43288 3.16092
27 1T9D P22 0.04707 0.40535 3.16092
28 4N14 WR7 0.02692 0.40142 3.18471
29 3G5K BB2 0.02188 0.40824 3.27869
30 2IVN ANP 0.0002035 0.46731 3.33333
31 5DNC ASN 0.03392 0.40922 3.44828
32 1RZM E4P 0.04318 0.41332 3.5503
33 3SLS 77D 0.01558 0.4088 3.61842
34 3MN6 ATP 0.000000001079 0.71689 3.73563
35 3MN9 ATP 0.000000003581 0.70238 3.73563
36 3BF1 ADP 0.003368 0.42616 4.01606
37 1HFU NAG NDG 0.009386 0.44281 4.02299
38 4A59 AMP 0.002462 0.439 4.02299
39 1YRO UDP 0.04725 0.40178 4.06504
40 1C3M MAN MAN 0.01952 0.40483 4.08163
41 4EHU ANP 0.00000004487 0.63097 4.34783
42 1Q1Y BB2 0.028 0.40293 4.71204
43 3VGL ANP 0.0003376 0.49204 4.98442
44 1OBD AMP 0.01761 0.43354 5.55556
45 2HW1 FRU 0.03616 0.41258 5.7047
46 3U4L ATP 0.0000000003324 0.73952 5.71429
47 4B1W ATP 0.0000000002255 0.7378 5.74713
48 2V51 ATP 0.000000000689 0.72551 5.74713
49 1SQK ADP 0.000000005876 0.72027 5.74713
50 4PKI ATP 0.000000002527 0.70921 5.74713
51 3U9Z ADP 0.000000006598 0.70825 5.74713
52 4PL8 ATP 0.000000003067 0.70542 5.74713
53 2A40 ATP 0.000000003334 0.70378 5.74713
54 4B1X ATP 0.000000002398 0.70154 5.74713
55 2D1K ATP 0.000000004133 0.69957 5.74713
56 4B1Y ATP 0.000000002735 0.69073 5.74713
57 4B1V ATP 0.00000001301 0.62081 5.74713
58 4B1V LAB 0.0000000313 0.59465 5.74713
59 2V52 ATP 0.000000001538 0.53516 5.74713
60 2Q97 ATP 0.000000006945 0.52392 5.74713
61 4B1Y LAB 0.0003262 0.51556 5.74713
62 2A42 ATP 0.000000005751 0.51373 5.74713
63 4B1X LAB 0.0003928 0.51132 5.74713
64 4B1W LAB 0.001453 0.47606 5.74713
65 1SQK LAR 0.002075 0.46811 5.74713
66 2FXU ATP 0.0000001735 0.44148 5.74713
67 2PAV ATP 0.000000006247 0.62711 5.7554
68 1T3D CYS 0.04204 0.40639 5.88235
69 4PKG ATP 0.000000002845 0.70689 5.91398
70 1YBH P22 0.03667 0.40376 6.03448
71 5CSS G3P 0.03483 0.40861 6.19469
72 4DR9 BB2 0.02257 0.40429 6.25
73 3GJ7 GDP 0.0307 0.40778 6.33484
74 3GJ0 GDP 0.03884 0.40246 6.33484
75 5HTX ADP 0.0005548 0.4975 6.6092
76 3V78 ET 0.03691 0.40018 6.89655
77 5EY0 ILE 0.02402 0.42305 6.93431
78 1ONX ASP 0.01597 0.43101 7.18391
79 3LM9 ADP 0.0001957 0.5146 7.28477
80 3LM9 FRU 0.004063 0.4166 7.28477
81 4ZLU 4PW 0.000007692 0.49266 7.47126
82 4ZLU ADP 0.000007692 0.49266 7.47126
83 1TUU AMP 0.005295 0.45192 7.47126
84 1TUU PIS 0.009909 0.42157 7.47126
85 1TUU ADP 0.03691 0.41116 7.47126
86 4BGB ADP 0.00004609 0.55291 8.30769
87 2X1L ADN 0.04954 0.4004 8.58779
88 4YDU ADP 0.0008841 0.45142 8.62069
89 4Z94 ATP 0.00000002442 0.68156 8.89571
90 2ZGY GDP 0.00000008823 0.64729 10.3125
91 2WDQ TEO 0.02379 0.4216 10.4348
92 2EB5 OXL 0.04988 0.40454 10.4869
93 3CIP ATP 0.00000005895 0.51927 10.9375
94 1YAG ATP 0.0000000003244 0.57158 11.2
95 2QQC AG2 0.04518 0.40933 11.3208
96 4H03 ATP 0.0000000878 0.57769 11.4943
97 4H03 LAR 0.0000001247 0.56691 11.4943
98 1N13 AG2 0.0479 0.40784 11.5385
99 1LES GLC FRU 0.03265 0.40665 11.7816
100 5M45 AMP 0.01051 0.42033 11.9048
101 1LOB MMA 0.04781 0.40123 13.4615
102 2D0O ADP 0.0000001824 0.65735 13.6
103 1MVQ MMA 0.04192 0.40072 13.9831
104 1T44 ATP 0.000000001268 0.72272 14.2857
105 3SJH ATP 0.0000000004632 0.54899 14.8148
106 3SJH LAR 0.00000002788 0.54228 14.8148
107 3MN7 ATP 0.0000000002724 0.73423 15.3061
108 2IDO TMP 0.03213 0.41077 16.6667
109 4Z2S NDG 0.03733 0.41167 16.9014
110 4Z2S NAG 0.03733 0.41167 16.9014
111 2OFD NGA 0.03697 0.4111 16.9014
112 2OFE NAG 0.04213 0.40691 16.9014
113 4B9Q ATP 0.0000000007085 0.72497 18.3908
114 5F1X ATP 0.000000001903 0.64698 19.2529
115 3WQT ANP 0.000000001059 0.54193 19.2529
116 5EOU ATP 0.00000005293 0.64206 20.4023
117 1KXP ATP 0.000000001964 0.71415 20.977
118 5LY3 ADP 0.00000002029 0.67667 22.4138
119 4EFH ADP 0.000000003083 0.50241 22.7273
120 4CBX ATP 0.000000001503 0.71939 26.7717
121 4CBU ATP 0.0000000005545 0.70418 26.7717
122 2PBD ATP 0.000000003039 0.70559 27.907
123 2QXL ATP 0.000000000703 0.73428 28.1609
124 2V7Y ADP 0.000000003432 0.72158 28.1609
125 2A3Z ATP 0.000000003376 0.70354 31.0345
126 5FPE 3TR 0.0000001512 0.4582 31.0345
127 2QWO ADP 0.000000003751 0.67693 31.3218
128 2BUP ADP 0.000000009896 0.65896 31.3218
129 2BUP ATP 0.000000009896 0.65896 31.3218
130 3LDQ 3P1 0.0000003224 0.6142 31.3218
131 3GDQ ADP 0.00000006597 0.56734 31.6092
132 5AR0 GB8 0.00000002454 0.51359 31.8966
133 3MN5 ATP 0.000000001135 0.53848 34.2105
134 4JNE ATP 0.00000000009641 0.59581 34.4828
135 5LJW ANP 0.00000002151 0.47321 42.9395
Pocket No.: 2; Query (leader) PDB : 4CZG; Ligand: ADP; Similar sites found: 133
This union binding pocket(no: 2) in the query (biounit: 4czg.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PTR PRB 0.008982 0.44436 0.574713
2 2GMP NAG MAN 0.02639 0.41932 1.5873
3 2GN3 MAN 0.03238 0.40907 1.5873
4 1Q8Q MAN MMA 0.03845 0.40817 1.5873
5 1Q8S MAN MMA 0.04157 0.40672 1.5873
6 2PHW MAN MAN MAN BMA MAN MAN MAN 0.03672 0.40272 1.5873
7 4TO8 FLC 0.009078 0.42684 1.71233
8 4BR5 ANP 0.00003513 0.47066 1.72414
9 1OYY AGS 0.03473 0.40398 1.72414
10 4UP4 GAL NAG 0.0149 0.42868 2.01149
11 2YKX AKG 0.03778 0.41384 2.01149
12 4UP4 NAG 0.04598 0.4016 2.01149
13 4UP4 NDG 0.04598 0.4016 2.01149
14 2G2Y MLI 0.03958 0.40567 2.27273
15 4A2B AGS 0.00000002299 0.51442 2.58621
16 4A2A ATP 0.00000001447 0.51363 2.58621
17 3AAQ ARU 0.0004296 0.43082 2.58621
18 4MO4 ACP 0.0003319 0.41982 2.58621
19 4OHB 5HM 0.03008 0.40722 2.63158
20 3I9U DTU 0.001669 0.48861 2.6616
21 3HSS MLA 0.01578 0.40572 2.73038
22 2UYT ADP 0.00007949 0.4677 2.87356
23 2UYT LRH 0.00007949 0.4677 2.87356
24 5M8T 0TR 0.04201 0.40847 2.87356
25 4L8F MTX 0.01331 0.43832 2.88462
26 2E2P ADP 0.01163 0.42071 3.01003
27 4O79 ASC 0.01021 0.40144 3.04348
28 3JQG AX6 0.04306 0.40732 3.125
29 2PUZ NIG 0.01249 0.43571 3.16092
30 1T9D P22 0.04515 0.40535 3.16092
31 2IVN ANP 0.0001883 0.46731 3.33333
32 5DNC ASN 0.03246 0.40922 3.44828
33 1RZM E4P 0.04155 0.41332 3.5503
34 1G27 BB1 0.01448 0.40609 3.57143
35 3MN6 ATP 0.00000000096 0.71689 3.73563
36 3MN9 ATP 0.000000003208 0.70238 3.73563
37 3BF1 ADP 0.003163 0.42616 4.01606
38 4A59 AMP 0.002315 0.439 4.02299
39 2Q09 DI6 0.04159 0.40348 4.02299
40 1YRO UDP 0.04553 0.40178 4.06504
41 1C3M MAN MAN 0.01878 0.40483 4.08163
42 4EHU ANP 0.00000004032 0.63097 4.34783
43 3VGL ANP 0.0003165 0.49204 4.98442
44 2HW1 FRU 0.03469 0.41258 5.7047
45 3U4L ATP 0.0000000002945 0.73952 5.71429
46 4B1W ATP 0.000000000199 0.7378 5.74713
47 2V51 ATP 0.0000000006121 0.72551 5.74713
48 1SQK ADP 0.000000005307 0.72027 5.74713
49 4PKI ATP 0.000000002261 0.70921 5.74713
50 3U9Z ADP 0.000000005949 0.70825 5.74713
51 4PL8 ATP 0.000000002746 0.70542 5.74713
52 2A40 ATP 0.000000002986 0.70378 5.74713
53 4B1X ATP 0.00000000214 0.70154 5.74713
54 2D1K ATP 0.000000003704 0.69957 5.74713
55 4B1Y ATP 0.000000002437 0.69073 5.74713
56 4B1V ATP 0.00000001152 0.62081 5.74713
57 4B1V LAB 0.00000002771 0.59465 5.74713
58 2V52 ATP 0.00000000137 0.54423 5.74713
59 2Q97 ATP 0.000000006209 0.53267 5.74713
60 2A42 ATP 0.00000000516 0.52211 5.74713
61 4B1Y LAB 0.0003074 0.51556 5.74713
62 4B1X LAB 0.0003704 0.51132 5.74713
63 4B1W LAB 0.001374 0.47606 5.74713
64 1SQK LAR 0.001965 0.46811 5.74713
65 2FXU ATP 0.0000001247 0.44148 5.74713
66 4M26 ZZU 0.005175 0.40827 5.74713
67 4M26 SIN 0.005175 0.40827 5.74713
68 2PAV ATP 0.000000005503 0.62711 5.7554
69 2YHW BM3 0.001032 0.40372 5.8309
70 1T3D CYS 0.04044 0.40639 5.88235
71 4PKG ATP 0.000000002546 0.70689 5.91398
72 3ZEU AGS 0.0001686 0.40036 5.93472
73 1YBH P22 0.03506 0.40376 6.03448
74 5CSS G3P 0.03334 0.40861 6.19469
75 3QMN A3P 0.04039 0.40882 6.20155
76 3GJ7 GDP 0.02934 0.40778 6.33484
77 3GJ4 GDP 0.02963 0.40756 6.33484
78 3GJ0 GDP 0.03715 0.40246 6.33484
79 5HTX ADP 0.000523 0.4975 6.6092
80 1ONX ASP 0.01526 0.43101 7.18391
81 3LM9 ADP 0.0001837 0.5146 7.28477
82 3LM9 FRU 0.00381 0.4166 7.28477
83 4ZLU ADP 0.000006939 0.49266 7.47126
84 4ZLU 4PW 0.000006939 0.49266 7.47126
85 1TUU AMP 0.005035 0.45192 7.47126
86 1TUU PIS 0.009397 0.42157 7.47126
87 1TUU ADP 0.03537 0.41116 7.47126
88 4BGB ADP 0.00004311 0.55291 8.30769
89 2X1L ADN 0.04748 0.4004 8.58779
90 4YDU ADP 0.0008261 0.45142 8.62069
91 4Z94 ATP 0.00000002212 0.68156 8.89571
92 1RL4 BRR 0.03059 0.4106 9.04255
93 2ZGY GDP 0.0000000801 0.64729 10.3125
94 2WDQ TEO 0.02276 0.4216 10.4348
95 2EB5 OXL 0.04796 0.40454 10.4869
96 3CIP ATP 0.00000004279 0.51927 10.9375
97 1YAG ATP 0.000000000286 0.58159 11.2
98 1RDS GPC 0.01973 0.40942 11.4286
99 4H03 ATP 0.00000007806 0.57769 11.4943
100 4H03 LAR 0.0000001108 0.56691 11.4943
101 1LES GLC FRU 0.03142 0.40665 11.7816
102 5M45 AMP 0.009972 0.42033 11.9048
103 1LOB MMA 0.04582 0.40123 13.4615
104 2D0O ADP 0.0000001669 0.65735 13.6
105 1MVQ MMA 0.04011 0.40072 13.9831
106 1T44 ATP 0.000000001132 0.72272 14.2857
107 3SJH ATP 0.0000000004109 0.55852 14.8148
108 3SJH LAR 0.00000002333 0.55268 14.8148
109 3MN7 ATP 0.0000000002407 0.73423 15.3061
110 2IDO TMP 0.03085 0.41077 16.6667
111 4B9Q ATP 0.0000000006295 0.72497 18.3908
112 5F1X ATP 0.000000001668 0.64698 19.2529
113 3WQT ANP 0.0000000009426 0.55109 19.2529
114 5EOU ATP 0.00000004778 0.64206 20.4023
115 1KXP ATP 0.000000001755 0.71415 20.977
116 5LY3 ADP 0.00000001832 0.67667 22.4138
117 4EFH ADP 0.000000002772 0.51063 22.7273
118 4CBX ATP 0.000000001342 0.71939 26.7717
119 4CBU ATP 0.0000000004889 0.70418 26.7717
120 2PBD ATP 0.000000002721 0.70559 27.907
121 2QXL ATP 0.000000000626 0.73428 28.1609
122 2V7Y ADP 0.000000003087 0.72158 28.1609
123 2A3Z ATP 0.000000003023 0.70354 31.0345
124 5FPE 3TR 0.000000138 0.46491 31.0345
125 2QWO ADP 0.000000003339 0.67693 31.3218
126 2BUP ATP 0.000000008842 0.65896 31.3218
127 2BUP ADP 0.000000008842 0.65896 31.3218
128 3LDQ 3P1 0.0000002935 0.6142 31.3218
129 3GDQ ADP 0.00000005825 0.56734 31.6092
130 5AR0 GB8 0.00000002205 0.5217 31.8966
131 3MN5 ATP 0.00000000101 0.54767 34.2105
132 4JNE ATP 0.00000000008443 0.60643 34.4828
133 5LJW ANP 0.00000001951 0.48058 42.9395
134 3GJ5 GDP 0.03632 0.40297 50
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