Receptor
PDB id Resolution Class Description Source Keywords
4B0T 2.16 Å EC: 6.3.2.- STRUCTURE OF THE PUP LIGASE PAFA OF THE PROKARYOTIC UBIQUITIN-LIKE MODIFICATION PATHWAY IN COMPLEX WITH ADP CORYNEBACTERIUM GLUTAMICUM LIGASE PUPYLATION DEPUPYLATION PROKARYOTIC UBIQUITIN-LIKEPROTEIN PROTEASOME
Ref.: STRUCTURES OF PUP LIGASE PAFA AND DEPUPYLASE DOP FR PROKARYOTIC UBIQUITIN-LIKE MODIFICATION PATHWAY. NAT.COMMUN. V. 3 1014 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:1478;
B:1479;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:1479;
B:1480;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4B0T 2.16 Å EC: 6.3.2.- STRUCTURE OF THE PUP LIGASE PAFA OF THE PROKARYOTIC UBIQUITIN-LIKE MODIFICATION PATHWAY IN COMPLEX WITH ADP CORYNEBACTERIUM GLUTAMICUM LIGASE PUPYLATION DEPUPYLATION PROKARYOTIC UBIQUITIN-LIKEPROTEIN PROTEASOME
Ref.: STRUCTURES OF PUP LIGASE PAFA AND DEPUPYLASE DOP FR PROKARYOTIC UBIQUITIN-LIKE MODIFICATION PATHWAY. NAT.COMMUN. V. 3 1014 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 4B0T - 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 23 families.
1 4B0T - 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 18 families.
1 4B0T - 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 : 4B0T; Ligand: ADP; Similar sites found: 158
This union binding pocket(no: 1) in the query (biounit: 4b0t.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3IES M24 0.007878 0.4034 1.21704
2 4ME6 ADP 0.02338 0.4114 1.29534
3 3P7N FMN 0.006417 0.41039 1.55039
4 2QLU ADE 0.01202 0.41466 1.59236
5 4LOO SB4 0.002389 0.43326 1.66205
6 1YFS ALA 0.002409 0.47396 1.72043
7 5EXK MET 0.02173 0.41282 1.81269
8 4HPH SUC 0.01291 0.40702 1.82556
9 5KJW 53C 0.01824 0.41659 1.87354
10 3NKS ACJ 0.0107 0.40725 1.88679
11 3JQ3 ADP 0.002369 0.45122 1.91257
12 4XAC AKG 0.006382 0.44056 1.98413
13 3Q3H UDP 0.02242 0.4109 2.0284
14 3T4L ZEA 0.002288 0.43411 2.22222
15 4D1J DGJ 0.01781 0.41419 2.23124
16 5J75 6GQ 0.01391 0.40198 2.27273
17 2IVD ACJ 0.01528 0.40721 2.30126
18 3BY9 SIN 0.03018 0.40425 2.30769
19 3B6R ADP 0.006387 0.41763 2.3622
20 3FHR P4O 0.003338 0.42295 2.38095
21 2WKQ FMN 0.008674 0.40459 2.40964
22 4RLQ 3SK 0.02788 0.40592 2.43408
23 5UXH GFB 0.008991 0.40071 2.45232
24 3SAO DBH 0.0002565 0.51703 2.5
25 1SW1 PBE 0.02006 0.41491 2.54545
26 4OYA 1VE 0.02689 0.40076 2.55319
27 5IFK HPA 0.03126 0.4084 2.5641
28 5L8L ADP 0.02418 0.40115 2.5641
29 1RYD GLC 0.006479 0.44031 2.58398
30 2YBP 2HG 0.007414 0.43958 2.62467
31 2OS2 OGA 0.007681 0.43873 2.62467
32 5LY2 OGA 0.02893 0.40792 2.62467
33 1U6R ADP 0.005801 0.41585 2.63158
34 3M2W L8I 0.01389 0.40921 2.67559
35 4MOB ADP 0.02688 0.4086 2.71084
36 4TXE 38F 0.01498 0.40049 2.72109
37 4M7T 25W 0.01596 0.4209 2.83976
38 2Q8E OGA 0.006579 0.4425 2.84091
39 3E0M SER HIS MET ALA GLU ILE 0.02398 0.40521 2.8754
40 3OPT AKG 0.01774 0.41865 2.94906
41 4KBA 1QM 0.009522 0.42569 3.02115
42 4BQY FNT 0.005047 0.41159 3.1746
43 1DZK PRZ 0.003623 0.429 3.18471
44 5JJU AMP 0.004355 0.43361 3.23529
45 1VBH PEP 0.01361 0.42281 3.24544
46 3PP0 03Q 0.002336 0.40776 3.25444
47 5M06 ADP 0.005208 0.42568 3.26087
48 4YMJ 4EJ 0.01176 0.42718 3.28947
49 4XH0 ADP 0.02282 0.41037 3.47395
50 4FE2 AIR 0.01485 0.41171 3.52941
51 5LVP ATP 0.01116 0.41383 3.53698
52 5AWM ANP 0.01846 0.407 3.5533
53 3QH2 3NM 0.02553 0.40794 3.61991
54 1A78 TDG 0.02682 0.40273 3.73134
55 4XMF HSM 0.006978 0.42234 3.80435
56 2QHV OC9 0.003013 0.45107 3.80952
57 4D52 GIV 0.02204 0.41792 3.80952
58 4D52 GXL 0.02204 0.41792 3.80952
59 2WZ5 MET 0.0006548 0.47214 3.92157
60 3LTW HLZ 0.03 0.409 3.92857
61 2B9J ADP 0.01167 0.40551 3.96601
62 4MJ0 SIA SIA 0.02964 0.40531 4
63 5X7Q GLC GLC 0.01254 0.41937 4.0568
64 4RHS SIA SIA GAL 0.03205 0.41778 4.09836
65 2ZX2 RAM 0.01652 0.42007 4.10256
66 1BO4 SPD 0.0313 0.40899 4.16667
67 1I82 BGC BGC 0.03168 0.40501 4.2328
68 1VA6 ADP 0.000023 0.43953 4.25963
69 1VA6 P2S 0.00002728 0.42691 4.25963
70 2XZ9 PYR 0.02585 0.40793 4.32099
71 2F57 23D 0.007316 0.4187 4.4164
72 4M5P 23W 0.009103 0.4303 4.4226
73 3CBC DBS 0.001299 0.48534 4.54545
74 1UYY BGC BGC 0.01674 0.41756 4.58015
75 2R09 4IP 0.02782 0.4019 4.61095
76 2IUW AKG 0.007293 0.43158 4.62185
77 5LMK 6ZK 0.01065 0.41098 4.7138
78 1O6B ADP 0.0273 0.40233 4.73373
79 3KYF 5GP 5GP 0.003771 0.44123 4.7619
80 3KYG 5GP 5GP 0.01012 0.40837 4.84582
81 2PNC CLU 0.0185 0.41901 4.86815
82 1GPM AMP 0.009118 0.41518 4.86815
83 2F2U M77 0.01467 0.41197 4.97512
84 2TPI ILE VAL 0.008048 0.40942 5.17241
85 4NPL AKG 0.004457 0.44969 5.2
86 2XG5 EC2 0.00275 0.44907 5.20231
87 2XG5 EC5 0.00275 0.44907 5.20231
88 3AJ6 NGA 0.01488 0.41793 5.24476
89 4B4Q A2G GAL NAG FUC GAL GLC 0.01366 0.4222 5.29801
90 1ZNY GDP 0.02519 0.40824 5.31401
91 2Z49 AMG 0.01421 0.42555 5.32407
92 3NZ1 3NY 0.003884 0.4472 5.36398
93 4OCT AKG 0.006547 0.42937 5.40541
94 2VZ6 FEF 0.007232 0.42296 5.43131
95 4Z1D PEP 0.01819 0.41488 5.43478
96 5EFW FMN 0.006156 0.41119 5.51724
97 1F52 ADP 0.0005567 0.47674 5.55556
98 4GLW NMN 0.01101 0.42639 5.57377
99 4OUC 5ID 0.01447 0.40467 5.60224
100 4DSU BZI 0.001667 0.47301 5.82011
101 2ZMF CMP 0.005605 0.41299 5.82011
102 1Y7P RIP 0.003044 0.45722 5.8296
103 4K3H 1OM 0.002479 0.42497 5.9322
104 4GCZ FMN 0.009673 0.40249 5.97403
105 2VN9 GVD 0.005665 0.44215 5.98007
106 2XYA 7L4 0.03152 0.40286 6.04396
107 5FUI APY 0.00009036 0.57802 6.06061
108 4B1L FRU 0.01593 0.41578 6.06061
109 4BG4 ADP 0.005657 0.41635 6.46067
110 5D9G GLU ASN LEU TYR PHE GLN 0.02135 0.40779 6.91057
111 1KNM LAT 0.007253 0.43676 6.92308
112 1R1Q ACE ARG GLU PTR VAL ASN VAL 0.02308 0.41309 7
113 1DWK OXL 0.01918 0.41696 7.05128
114 4Y8D 49J 0.009698 0.40575 7.14286
115 1Y9Q MED 0.03072 0.4052 7.29167
116 4WOE ADP 0.00158 0.47575 7.30223
117 5LUB 3Y7 0.0336 0.40064 7.63359
118 5V1B 8UY 0.02055 0.41289 7.91667
119 5SVV FMN 0.005303 0.41066 8.0292
120 2AZ5 307 0.01163 0.40218 8.10811
121 2ZQO NGA 0.02556 0.40535 8.46154
122 3WLV AZA 0.01876 0.41497 8.65385
123 5H2U 1N1 0.006842 0.41261 8.98876
124 4R38 RBF 0.002208 0.42714 9.28571
125 1XE7 GUN 0.009253 0.41797 9.35961
126 5DYO FLU 0.003055 0.45957 9.43396
127 5JSP DQY 0.01121 0.42693 9.45274
128 3P2H NOO 0.003943 0.42343 9.45274
129 3H0L ADP 0.00000003347 0.70205 9.57447
130 3HCH RSM 0.01908 0.41603 9.58904
131 1TRD PGH 0.01935 0.40222 9.6
132 4S1D 41M 0.03005 0.40421 10
133 3T50 FMN 0.005221 0.41435 10.1562
134 1QKQ MAN 0.0002052 0.52619 10.5634
135 4XZ3 ACP 0.02944 0.40467 10.8696
136 5HCF BGC 0.0476 0.40324 11.0701
137 1YQC GLV 0.01008 0.42297 11.1765
138 4K55 H6P 0.01157 0.41638 11.2903
139 5F6U 5VK 0.009623 0.43774 11.465
140 5DJU FMN 0.008008 0.40289 11.4754
141 2F6U CIT 0.01841 0.4154 11.5385
142 5CLO NS8 0.02127 0.41424 11.8644
143 1KTC NGA 0.02467 0.40872 12.3457
144 1UPR 4IP 0.03123 0.40094 13.0081
145 4RT1 C2E 0.001949 0.44142 13.3929
146 1I7M CG 0.01408 0.41703 13.4328
147 3DZ6 M8E 0.005765 0.41245 13.4328
148 2YKL NLD 0.002434 0.44582 13.6792
149 4GGZ BTN 0.01759 0.40805 13.913
150 3RF4 FUN 0.03545 0.40041 14.6552
151 5JDA AMP 0.0256 0.40263 15.0418
152 2CJU PHX 0.01534 0.42163 15.9292
153 2E1A MSE 0.01724 0.41255 18.6667
154 1SQL GUN 0.03026 0.40576 20.5479
155 3IWD M2T 0.0001417 0.52549 20.5882
156 5DJT FMN 0.009515 0.40281 29.5082
157 5TVF CGQ 0.02216 0.40696 32.9412
158 5LRT ADP 0.00000000000419 0.76272 49.0872
Pocket No.: 2; Query (leader) PDB : 4B0T; 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: 4b0t.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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