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Receptor
PDB id Resolution Class Description Source Keywords
3VPC 1.87 Å EC: 3.5.1.16 ARGX FROM SULFOLOBUS TOKODAII COMPLEXED WITH ADP SULFOLOBUS TOKODAII ATP-DEPENDENET AMINE/THIOL LIGASE FAMILY ATP-DEPENDENET AMILIGASE LIGASE
Ref.: LYSINE AND ARGININE BIOSYNTHESES MEDIATED BY A COMM CARRIER PROTEIN IN SULFOLOBUS. NAT.CHEM.BIOL. V. 9 277 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP C:500;
B:500;
D:500;
A:500;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VPC 1.87 Å EC: 3.5.1.16 ARGX FROM SULFOLOBUS TOKODAII COMPLEXED WITH ADP SULFOLOBUS TOKODAII ATP-DEPENDENET AMINE/THIOL LIGASE FAMILY ATP-DEPENDENET AMILIGASE LIGASE
Ref.: LYSINE AND ARGININE BIOSYNTHESES MEDIATED BY A COMM CARRIER PROTEIN IN SULFOLOBUS. NAT.CHEM.BIOL. V. 9 277 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3VPC - 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 2 families.
1 3VPC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 3VPC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 3VPD - CIT C6 H8 O7 C(C(=O)O)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 452
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 5FA 0.887324 1
6 AQP 0.887324 1
7 AP5 0.884058 0.971831
8 B4P 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 SAP 0.8 0.945946
22 AGS 0.8 0.945946
23 AD9 0.8 0.972222
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 ABM 0.763889 0.917808
30 APC 0.763158 0.958904
31 PRX 0.763158 0.893333
32 ATF 0.759494 0.958904
33 A22 0.753086 0.985915
34 AP2 0.743243 0.958904
35 A12 0.743243 0.958904
36 SRA 0.736111 0.918919
37 ADQ 0.73494 0.945205
38 25L 0.732558 0.985915
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 A3R 0.714286 0.907895
44 ATR 0.708861 0.971429
45 ADP PO3 0.708861 0.943662
46 PAP 0.708861 0.985714
47 SRP 0.707317 0.906667
48 7D3 0.706667 0.905405
49 25A 0.702381 0.971831
50 9X8 0.697674 0.92
51 OAD 0.697674 0.945205
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.883117
55 OOB 0.682353 0.931507
56 5SV 0.682353 0.848101
57 8QN 0.682353 0.931507
58 3OD 0.681818 0.945205
59 BIS 0.681818 0.933333
60 ALF ADP 0.674699 0.87013
61 ADP ALF 0.674699 0.87013
62 AMO 0.674419 0.932432
63 4AD 0.674419 0.92
64 PAJ 0.674419 0.884615
65 GAP 0.670732 0.893333
66 MAP 0.670588 0.945946
67 AHX 0.666667 0.896104
68 VO4 ADP 0.666667 0.931507
69 DLL 0.666667 0.931507
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LMS 0.653333 0.82716
75 LAD 0.651685 0.860759
76 WAQ 0.651685 0.883117
77 B5V 0.651685 0.906667
78 PR8 0.651685 0.85
79 ITT 0.65 0.943662
80 7D4 0.65 0.905405
81 G5P 0.648936 0.921053
82 XYA 0.647059 0.84507
83 ADN 0.647059 0.84507
84 RAB 0.647059 0.84507
85 1ZZ 0.644444 0.839506
86 ME8 0.644444 0.839506
87 FYA 0.644444 0.905405
88 NB8 0.644444 0.896104
89 TXA 0.644444 0.932432
90 6AD 0.642857 0.909091
91 ADP BMA 0.640449 0.918919
92 G3A 0.638298 0.921053
93 DAL AMP 0.632184 0.905405
94 AFH 0.631579 0.884615
95 9SN 0.630435 0.871795
96 9ZA 0.625 0.907895
97 DQV 0.625 0.958333
98 9ZD 0.625 0.907895
99 GTA 0.625 0.886076
100 YAP 0.623656 0.894737
101 B5M 0.623656 0.894737
102 FA5 0.623656 0.906667
103 B5Y 0.623656 0.894737
104 UP5 0.622449 0.92
105 HFD 0.619048 0.945946
106 XAH 0.617021 0.839506
107 AV2 0.616279 0.917808
108 AOC 0.615385 0.821918
109 48N 0.612245 0.896104
110 4UV 0.610526 0.894737
111 6V0 0.606061 0.896104
112 NAI 0.606061 0.907895
113 DND 0.606061 0.932432
114 NAX 0.606061 0.873418
115 NXX 0.606061 0.932432
116 TXD 0.606061 0.907895
117 5N5 0.605634 0.819444
118 5AS 0.604938 0.77907
119 A4P 0.60396 0.843373
120 DAT 0.60241 0.905405
121 A2R 0.602273 0.985915
122 TXE 0.6 0.907895
123 OMR 0.6 0.851852
124 4UU 0.597938 0.894737
125 GA7 0.597938 0.906667
126 A A 0.597826 0.944444
127 A4D 0.597222 0.819444
128 5CD 0.597222 0.805556
129 AP0 0.594059 0.896104
130 4TC 0.594059 0.896104
131 A3P 0.592593 0.971429
132 T5A 0.592233 0.841463
133 139 0.592233 0.873418
134 7D5 0.592105 0.878378
135 ATP A A A 0.589474 0.930556
136 LAQ 0.585859 0.839506
137 MYR AMP 0.585106 0.817073
138 F2R 0.580952 0.864198
139 YLP 0.58 0.819277
140 UPA 0.578431 0.907895
141 7DD 0.578313 0.985714
142 3AM 0.576923 0.929577
143 ADJ 0.576923 0.851852
144 COD 0.575472 0.811765
145 NAD 0.575472 0.931507
146 3AT 0.574713 0.971831
147 JB6 0.574468 0.883117
148 4UW 0.574257 0.860759
149 EP4 0.573333 0.753247
150 A2P 0.573171 0.957143
151 CNA 0.571429 0.932432
152 TYM 0.568627 0.906667
153 PPS 0.568182 0.873418
154 DTA 0.565789 0.786667
155 M2T 0.565789 0.734177
156 AR6 AR6 0.565657 0.917808
157 A3D 0.564815 0.918919
158 80F 0.564815 0.841463
159 3DH 0.564103 0.773333
160 G5A 0.563218 0.77907
161 YLB 0.563107 0.819277
162 YLC 0.563107 0.839506
163 AMP DBH 0.561224 0.893333
164 TYR AMP 0.561224 0.87013
165 MTA 0.558442 0.773333
166 DTP 0.556818 0.905405
167 AHZ 0.554455 0.817073
168 NA7 0.553191 0.958904
169 IOT 0.552381 0.831325
170 ZAS 0.55 0.766234
171 7MD 0.55 0.8625
172 ARG AMP 0.55 0.829268
173 IMO 0.548781 0.929577
174 YLA 0.54717 0.819277
175 NAE 0.544643 0.894737
176 TAD 0.544554 0.884615
177 A5A 0.544444 0.807229
178 2AM 0.544304 0.943662
179 TSB 0.543478 0.819277
180 6RE 0.54321 0.759494
181 AYB 0.542056 0.809524
182 NAQ 0.539823 0.871795
183 V3L 0.539326 0.971831
184 SSA 0.538462 0.8
185 AF3 ADP 3PG 0.538462 0.8375
186 ZID 0.535088 0.918919
187 LPA AMP 0.533981 0.817073
188 52H 0.532609 0.77907
189 VMS 0.532609 0.788235
190 54H 0.532609 0.788235
191 BTX 0.53211 0.841463
192 A3N 0.53012 0.786667
193 J7C 0.53012 0.769231
194 5X8 0.528736 0.763158
195 BT5 0.527273 0.831325
196 8X1 0.526882 0.752809
197 5CA 0.526882 0.8
198 53H 0.526882 0.77907
199 ARU 0.526316 0.860759
200 EAD 0.525862 0.873418
201 RGT 0.525253 0.958904
202 OVE 0.52439 0.905405
203 S4M 0.52381 0.666667
204 7DT 0.522727 0.985714
205 GDP 0.522222 0.92
206 DDS 0.522222 0.878378
207 AVV 0.521277 0.896104
208 NDE 0.521008 0.932432
209 7MC 0.518868 0.841463
210 DSH 0.518072 0.725
211 MAO 0.517647 0.759036
212 NSS 0.515789 0.8
213 DSZ 0.515789 0.8
214 LSS 0.515789 0.761364
215 P5A 0.515464 0.744444
216 DZD 0.513514 0.884615
217 NVA LMS 0.510417 0.752809
218 9K8 0.510204 0.714286
219 12D 0.509615 0.785714
220 M24 0.508772 0.85
221 YLY 0.508772 0.809524
222 P1H 0.508333 0.851852
223 5AD 0.506849 0.746479
224 GJV 0.505882 0.75
225 LEU LMS 0.505155 0.752809
226 AMP NAD 0.504505 0.905405
227 4TA 0.504505 0.807229
228 G A A A 0.504505 0.871795
229 NAJ PZO 0.504425 0.848101
230 GSU 0.5 0.77907
231 128 0.5 0.776471
232 KAA 0.5 0.752809
233 71V 0.5 0.907895
234 A3G 0.5 0.8
235 NDC 0.5 0.871795
236 7D7 0.5 0.743243
237 N0B 0.495726 0.819277
238 NJP 0.495495 0.945946
239 ODP 0.495495 0.909091
240 2SA 0.494624 0.932432
241 6C6 0.494505 0.881579
242 SFG 0.494382 0.75
243 0WD 0.491071 0.921053
244 YSA 0.490196 0.77907
245 PO4 PO4 A A A A PO4 0.489796 0.902778
246 SAM 0.48913 0.690476
247 6IA 0.48913 0.8375
248 A7D 0.488636 0.776316
249 6FA 0.488 0.841463
250 FB0 0.487805 0.804598
251 NAJ PYZ 0.487179 0.807229
252 A5D 0.483516 0.786667
253 IDP 0.483516 0.918919
254 SA8 0.483516 0.707317
255 PGS 0.483146 0.883117
256 MHZ 0.483146 0.697674
257 DA 0.482353 0.878378
258 D5M 0.482353 0.878378
259 NEC 0.482353 0.746667
260 NIA 0.481928 0.822785
261 Y3J 0.480519 0.726027
262 8PZ 0.480392 0.8
263 FAD 0.480315 0.851852
264 FAS 0.480315 0.851852
265 FDA 0.48 0.833333
266 N6P 0.479592 0.915493
267 GGZ 0.479167 0.825
268 U A 0.478261 0.907895
269 SAH 0.478261 0.74359
270 SAI 0.478261 0.734177
271 A G 0.477876 0.883117
272 NPW 0.477477 0.886076
273 NDP 0.477477 0.921053
274 AAM 0.476744 0.971429
275 C2R 0.47561 0.90411
276 AMZ 0.47561 0.916667
277 A A A 0.474747 0.905405
278 GTP 0.473684 0.92
279 U A G G 0.473684 0.883117
280 SMM 0.473684 0.686047
281 NZQ 0.473214 0.909091
282 TXP 0.473214 0.921053
283 A3S 0.47191 0.810811
284 SFD 0.46875 0.734043
285 AIR 0.468354 0.901408
286 AAT 0.468085 0.707317
287 EEM 0.468085 0.690476
288 J7V 0.466667 0.833333
289 Z5A 0.466667 0.77907
290 7C5 0.466667 0.818182
291 62F 0.465649 0.8625
292 HDV 0.463158 0.893333
293 FAY 0.462121 0.8625
294 A3T 0.461538 0.821918
295 ETB 0.461538 0.833333
296 DCA 0.461538 0.823529
297 A6D 0.46 0.722892
298 A U 0.459459 0.87013
299 GEK 0.459184 0.7375
300 6K6 0.459184 0.930556
301 RFL 0.458647 0.821429
302 NAP 0.458333 0.945205
303 S7M 0.458333 0.690476
304 4YB 0.457944 0.761364
305 WSA 0.454545 0.788235
306 TAP 0.454545 0.907895
307 FNK 0.454545 0.804598
308 COA 0.453782 0.823529
309 0T1 0.453782 0.823529
310 101 0.453488 0.878378
311 XNP 0.452174 0.873418
312 NA0 0.45082 0.932432
313 7RP 0.448276 0.928571
314 GP3 0.446809 0.921053
315 TM1 0.446602 0.77381
316 APU 0.446429 0.894737
317 PUA 0.445378 0.884615
318 V1N 0.443396 0.917808
319 7RA 0.443182 0.957747
320 COS 0.442623 0.804598
321 AMX 0.442623 0.833333
322 30N 0.442623 0.752688
323 CAO 0.442623 0.795455
324 QQY 0.44186 0.815789
325 ACK 0.44186 0.861111
326 649 0.441441 0.744444
327 0UM 0.44 0.698795
328 NHD 0.439655 0.905405
329 CMX 0.439024 0.823529
330 SCO 0.439024 0.823529
331 GCP 0.438776 0.896104
332 8BR 0.438202 0.906667
333 GNH 0.4375 0.907895
334 8Q2 0.4375 0.772727
335 3AD 0.4375 0.805556
336 NVA 2AD 0.43617 0.759494
337 62X 0.435644 0.666667
338 FCX 0.435484 0.795455
339 ACO 0.435484 0.795455
340 FAM 0.435484 0.804598
341 9JJ 0.434783 0.8625
342 GNP 0.434343 0.896104
343 9GM 0.434343 0.896104
344 NMX 0.433071 0.76087
345 MGP 0.43299 0.884615
346 26A 0.432099 0.763158
347 HAX 0.432 0.804598
348 K15 0.431373 0.682353
349 DG1 0.430894 0.921053
350 1DG 0.430894 0.921053
351 QQX 0.430233 0.805195
352 2VA 0.430108 0.8
353 S8M 0.43 0.759494
354 2MC 0.429688 0.769231
355 6G0 0.428571 0.884615
356 P5F 0.428571 0.823529
357 FYN 0.428571 0.823529
358 3KK 0.428571 0.804598
359 A C A C 0.428571 0.848101
360 7L1 0.427419 0.795455
361 FAI 0.426966 0.916667
362 RMB 0.426966 0.873239
363 AS 0.426966 0.833333
364 1RB 0.425287 0.885714
365 CA6 0.425197 0.729167
366 SOP 0.425197 0.804598
367 OXK 0.425197 0.804598
368 MCD 0.425197 0.804598
369 COK 0.425197 0.804598
370 G1R 0.424242 0.907895
371 SXZ 0.423077 0.710843
372 CC5 0.423077 0.816901
373 F2N 0.422535 0.813953
374 EO7 0.422222 0.788235
375 ANZ 0.422018 0.8
376 1VU 0.421875 0.795455
377 CMC 0.421875 0.804598
378 CO6 0.421875 0.804598
379 ZDA 0.421053 0.864865
380 GKE 0.420561 0.884615
381 GDC 0.420561 0.884615
382 GDD 0.420561 0.884615
383 NFD 0.420168 0.883117
384 GSP 0.42 0.873418
385 D3Y 0.42 0.789474
386 MC4 0.419847 0.76087
387 3D1 0.419753 0.773333
388 3L1 0.419753 0.773333
389 FA9 0.41958 0.864198
390 5GP 0.419355 0.906667
391 G 0.419355 0.906667
392 KB1 0.419048 0.698795
393 CAJ 0.418605 0.804598
394 SCD 0.418605 0.823529
395 CMP 0.417582 0.901408
396 2BA 0.417582 0.915493
397 SO8 0.416667 0.789474
398 VRT 0.416667 0.769231
399 N01 0.416667 0.905405
400 IVC 0.415385 0.813953
401 1HE 0.415385 0.786517
402 A1S 0.415385 0.804598
403 BCO 0.415385 0.804598
404 3HC 0.415385 0.813953
405 MLC 0.415385 0.804598
406 NMN AMP PO4 0.415254 0.87013
407 2FA 0.414634 0.813333
408 MGO 0.414141 0.860759
409 3NZ 0.413462 0.782051
410 COO 0.412214 0.804598
411 MCA 0.412214 0.795455
412 YE1 0.412214 0.813953
413 CAA 0.412214 0.813953
414 GAV 0.411765 0.884615
415 PRT 0.411215 0.931507
416 JLN 0.411111 0.890411
417 P2P 0.411111 0.902778
418 ZZB 0.410256 0.77381
419 SP1 0.409091 0.842105
420 RP1 0.409091 0.842105
421 2CP 0.409091 0.795455
422 SCA 0.409091 0.804598
423 103 0.409091 0.837838
424 PAX 0.408 0.829268
425 FAD NBT 0.407143 0.75
426 COW 0.406015 0.795455
427 3CP 0.406015 0.804598
428 IRC 0.406015 0.813953
429 BYC 0.406015 0.804598
430 CA8 0.406015 0.729167
431 1GZ 0.406015 0.795455
432 COF 0.406015 0.786517
433 HGG 0.406015 0.804598
434 2KQ 0.406015 0.786517
435 G2P 0.405941 0.884615
436 SLU 0.404959 0.770115
437 U A C C 0.404959 0.858974
438 RBZ 0.404494 0.849315
439 1CZ 0.404412 0.795455
440 FAQ 0.402985 0.804598
441 BCA 0.402985 0.795455
442 4CA 0.402985 0.795455
443 MTP 0.402439 0.730769
444 8OD 0.402062 0.945205
445 CO7 0.401515 0.804598
446 GRA 0.4 0.804598
447 G2R 0.4 0.884615
448 ENQ 0.4 0.916667
449 CNV FAD 0.4 0.8
450 GMV 0.4 0.896104
451 HXC 0.4 0.786517
452 HF7 0.4 0.893333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VPC; Ligand: ADP; Similar sites found with APoc: 462
This union binding pocket(no: 1) in the query (biounit: 3vpc.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2YAB AMP 1.06383
2 2AQX ATP 1.06383
3 3FC2 IBI 1.41844
4 3EKK GS2 1.41844
5 2XVD AS6 1.41844
6 4UWH JXM 1.41844
7 3BU5 ATP 1.41844
8 5TA6 79D 1.41844
9 1IR3 ANP 1.41844
10 4FE2 ADP 1.56863
11 4IX4 ADP 1.77305
12 4EUU BX7 1.77305
13 2CSN CKI 1.77305
14 4PZ6 GMP 1.77305
15 4ZS4 ATP 1.77305
16 1CM8 ANP 1.77305
17 3GC8 B45 1.77305
18 6GZD LCI 1.77305
19 4CYI ATP 1.77305
20 5A6N U7E 1.77305
21 2X2M X2M 1.77305
22 4RDL FUC GAL NDG FUC 1.77305
23 2J7T 274 1.77305
24 3FHR P4O 1.77305
25 2YAK OSV 1.77305
26 6AC9 ANP 1.77305
27 3PDT ADP 1.81818
28 1ZTH ADP 1.93798
29 1ZP9 ATP 1.93798
30 3RE4 TO1 1.93798
31 1IOW ADP 2.12766
32 1IOW PHY 2.12766
33 1JPA ANP 2.12766
34 2QK4 ATP 2.12766
35 6F3G CJN 2.12766
36 3KN5 ANP 2.12766
37 3ZRM ZRM 2.12766
38 4BFM ANP 2.12766
39 2B9H ADP 2.12766
40 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 2.12766
41 2JDR L20 2.12766
42 4GLW 0XT 2.12766
43 2B9F ADP 2.12766
44 2B9I ADP 2.12766
45 2B9J ADP 2.12766
46 3F7Z 34O 2.12766
47 3TKI S25 2.12766
48 5JFS 6K0 2.12766
49 1M0W ANP 2.12766
50 4AU8 Z3R 2.12766
51 4E93 GUI 2.12766
52 5LXM ADP 2.12766
53 5ODT ADP 2.12766
54 2QLU ADE 2.12766
55 1ZY5 ANP 2.12766
56 3PLS ANP 2.12766
57 5G1X ADP 2.12766
58 2HY0 306 2.12766
59 5KOD IAC 2.12766
60 4AUA 4AU 2.12766
61 4WTV ATP 2.12766
62 5UIU 8CG 2.12766
63 2Q6B HR2 2.12766
64 5EW9 5VC 2.21402
65 3E5A VX6 2.23881
66 3TXO 07U 2.48227
67 4CLI 5P8 2.48227
68 1XJD STU 2.48227
69 6G34 5ID 2.48227
70 5BVE 4VG 2.48227
71 4NM5 ADP 2.48227
72 2JLD AG1 2.48227
73 4H3P ANP 2.48227
74 4H3Q ANP 2.48227
75 4OUC 5ID 2.48227
76 4U0I 0LI 2.48227
77 5HES 032 2.48227
78 5GZ9 ANP 2.48227
79 5N87 N66 2.48227
80 3VRY B43 2.48227
81 6GQM F8H 2.48227
82 4G31 0WH 2.48227
83 4CC6 L5Y 2.48227
84 3HMO STU 2.48227
85 2PVN P63 2.48227
86 3TDV GDP 2.48227
87 2GQS ADP 2.53165
88 5EH0 5NW 2.71318
89 3C0G 3AM 2.83688
90 5IH9 6BF 2.83688
91 3MVH WFE 2.83688
92 4JR7 GNP 2.83688
93 5MY8 RXZ 2.83688
94 5VC5 96M 2.83688
95 5WNL STU 2.83688
96 3E7O 35F 2.83688
97 5AWM ANP 2.83688
98 2XK9 XK9 2.83688
99 2BMB PMM 2.83688
100 3AKK ADP 2.83688
101 3O03 GCO 2.83688
102 1BYG STU 2.8777
103 2HK5 1BM 2.96296
104 3SXS PP2 2.98507
105 4CS9 AMP 3.1746
106 2VPQ ANP 3.19149
107 5LPB ADP 3.19149
108 3V4S ADP 3.19149
109 3V4S ATP 3.19149
110 3M2W L8I 3.19149
111 3WVR AMP 3.19149
112 3UDZ ADP 3.19149
113 6FL8 TIY 3.19149
114 6FL8 ADP 3.19149
115 3E8N VRA 3.19149
116 3E8N ATP 3.19149
117 2F2U M77 3.19149
118 4R78 AMP 3.19149
119 4GYI ADP 3.19149
120 3HZT J60 3.19149
121 4DFU QUE 3.19149
122 5LPZ ADP 3.19149
123 4OH4 ANP 3.19149
124 5TDF ADP 3.19149
125 3PVW QRX 3.19149
126 4I94 ANP 3.19149
127 3PP0 03Q 3.19149
128 3SLS ANP 3.19149
129 5TO8 7FM 3.19149
130 3GNI ATP 3.19149
131 5C4L 4XR 3.19149
132 4Y93 746 3.19149
133 2FB3 GTP 3.19149
134 4KBA 1QM 3.19149
135 2FB3 5AD 3.19149
136 4I6H 1C8 3.19149
137 2FB3 MET 3.19149
138 3N9P OGA 3.19149
139 3N9O OGA 3.19149
140 5W4W 9WG 3.19149
141 5C4L SIS 3.19149
142 5OKT 9XK 3.19149
143 1S68 AMP 3.21285
144 3SRV S19 3.2491
145 3AQV TAK 3.26087
146 4F4P 0SB 3.2967
147 4TWP AXI 3.32103
148 5FBN 5WF 3.32103
149 1UNH IXM 3.36538
150 5L8L ADP 3.4188
151 4NJH 2K8 3.47826
152 4NJH SAM 3.47826
153 3HAV ATP 3.5461
154 5YF9 NIO 3.5461
155 5LVP ATP 3.5461
156 3ORK AGS 3.5461
157 1VJY 460 3.5461
158 4YZN 4K5 3.5461
159 2R5T ANP 3.5461
160 2Y6O 1N1 3.5461
161 6GIN IR2 3.5461
162 4U44 3D9 3.5461
163 2PVF ACP 3.5461
164 5AX9 4KT 3.5461
165 3RI1 3RH 3.5461
166 5IM3 DTP 3.5461
167 5EXK 5AD 3.5461
168 5UKL SIX 3.5461
169 4JGP PYR 3.68664
170 5C1P ADP 3.90071
171 5C1P DAL DAL 3.90071
172 2PUL ACP 3.90071
173 4O1P ANP 3.90071
174 6C7Y ADP 3.90071
175 4AG8 AXI 3.90071
176 5WO4 B7V 3.90071
177 3VHE 42Q 3.90071
178 3LXK MI1 3.90071
179 6CQF F97 3.90071
180 4ASE AV9 3.90071
181 6A1G 9OL 3.90071
182 6BXI ANP 3.90071
183 3PN1 IVH 3.90071
184 4AT3 LTI 3.90071
185 1NJJ GET 3.90071
186 3DAK ANP 3.90071
187 3ZDS OMD 3.90071
188 3ZDS M8O 3.90071
189 3BZ3 YAM 3.98551
190 2A19 ANP 4
191 4O4F IHP 4.03226
192 4O4F ATP 4.03226
193 6E8I PTR 4.14201
194 5VCV 1N1 4.18006
195 2GQR ADP 4.21941
196 3ORQ ADP 4.25532
197 2PZI AXX 4.25532
198 4XV1 904 4.25532
199 4N70 2HX 4.25532
200 4KS7 X4Z 4.25532
201 4PNI KQQ 4.25532
202 4Y0X ADP 4.25532
203 5Y86 HRM 4.25532
204 5KO1 6UY 4.25532
205 3CY2 MB9 4.25532
206 3NW7 LGV 4.25532
207 5JGA 6KC 4.25532
208 4L9I 8PR 4.25532
209 4M69 ANP 4.25532
210 1K3A ACP 4.25532
211 3W0O ADP 4.25532
212 3W0O HY0 4.25532
213 3ALN ANP 4.25532
214 6CGD GNP 4.25532
215 6CGD AKN 4.25532
216 6EZ6 C5Z 4.25532
217 5IH1 GDP 4.25532
218 5IH1 6BQ 4.25532
219 1IA9 ANP 4.28571
220 4CQE CQE 4.31655
221 1JBU BEN 4.33071
222 1TZD ADP 4.36364
223 5F90 GLA GAL 4.48718
224 5F90 LMR 4.48718
225 5F90 GLA GAL BGC 5VQ 4.48718
226 2VN9 GVD 4.60993
227 2IO8 ADP 4.60993
228 5DZT AMP 4.60993
229 5NKB 8ZT 4.60993
230 2Q7D ANP 4.60993
231 4NW6 2NS 4.60993
232 5UR1 YY9 4.60993
233 5CEO 50D 4.60993
234 5EOB 5QQ 4.60993
235 2V7O DRN 4.60993
236 4YZC STU 4.60993
237 3KRL KRL 4.60993
238 4BTK DTQ 4.60993
239 2RIO ADP 4.60993
240 4NFN 2KC 4.60993
241 2WEL K88 4.60993
242 1GPM AMP 4.60993
243 6C0T EE4 4.61095
244 3O0G 3O0 4.69799
245 4K55 H6P 4.83871
246 6CZ3 FLJ 4.92424
247 3DLS ADP 4.96454
248 5VLQ ANP 4.96454
249 5XVG 8FX 4.96454
250 5MW8 ATP 4.96454
251 2WU6 DKI 4.96454
252 4UX9 ANP 4.96454
253 4P5Z Q7M 4.96454
254 4IZY 1J2 4.96454
255 4OTH DRN 4.96454
256 4IJP 1EH 4.96454
257 5DMZ ADP 4.96454
258 2RIF AMP 4.96454
259 4G17 0VN 4.96454
260 1V0O INR 4.96454
261 5CKW ANP 4.96454
262 3OBT SLB 4.96454
263 5COU ATP 4.96454
264 4EWH T77 5.09091
265 2VZ6 FEF 5.11182
266 1O9U ADZ 5.31915
267 3WO0 ALA 5.31915
268 3WO0 ADP 5.31915
269 3K5I ADP 5.31915
270 5MJA 7O3 5.31915
271 3TII ANP 5.31915
272 5ZTN CUR 5.31915
273 5QIN J2V 5.31915
274 2IF8 ADP 5.31915
275 4USF 6UI 5.31915
276 2BKK ADP 5.31915
277 3K5I AIR 5.31915
278 3X01 AMP 5.31915
279 1OBD ATP 5.31915
280 3TM0 ANP 5.32319
281 3TM0 B31 5.32319
282 3ETH ATP 5.67376
283 4L3L 5FI 5.67376
284 4UXL 5P8 5.67376
285 2CFM AMP 5.67376
286 5HVJ ANP 5.67376
287 3RWP ABQ 5.78778
288 3QF7 ANP 6
289 4QMN DB8 6.02837
290 4WHZ 3NL 6.02837
291 4K33 ACP 6.02837
292 5HCY 60D 6.02837
293 4OCV ANP 6.02837
294 3PTG 932 6.02837
295 3TTI KBI 6.02837
296 5OES ADP 6.02837
297 3Q60 ATP 6.02837
298 6GWR FEW 6.02837
299 2OFV 242 6.13718
300 4C5N ACP 6.15942
301 4C5N PXL 6.15942
302 4CSV STI 6.18182
303 5H2U 1N1 6.36704
304 5YK1 ANP 6.38298
305 2PYW ADP 6.38298
306 3PE2 E1B 6.38298
307 2YW2 ATP 6.38298
308 5JZJ AN2 6.38298
309 3V8S 0HD 6.38298
310 4OCJ NDG 6.38298
311 5OMY 9YE 6.38298
312 1M1B SPV 6.38298
313 6C1S EFV 6.38298
314 4LO2 GAL BGC 6.38298
315 3H9R TAK 6.42202
316 4A4X JUP 6.45161
317 1I7L ATP 6.73759
318 3I0O ADP 6.73759
319 5USZ SKE 6.73759
320 5LI1 ANP 6.73759
321 5LI9 ACP 6.73759
322 1OUK 084 6.73759
323 2Z7R STU 6.73759
324 4LOO SB4 6.73759
325 1U59 STU 6.73759
326 4DC2 ADE 6.73759
327 4IDT T28 6.73759
328 3DNT ATP 6.73759
329 4ZGP ADP 6.73759
330 3KMW ATP 6.97674
331 4UAL 3FV 7.0922
332 3GGF GVD 7.0922
333 6CMJ F6J 7.0922
334 5T8O 76Z 7.0922
335 5DEY 59T 7.0922
336 6FYL 3NG 7.0922
337 2ZV2 609 7.0922
338 3UIM ANP 7.0922
339 3CF6 SP1 7.0922
340 4RFM 3P6 7.14286
341 1KJ1 MAN 7.33945
342 6FYV 3NG 7.44681
343 4BHN BH9 7.44681
344 4ONA UW1 7.44681
345 4FL3 ANP 7.44681
346 6E2O S0L 7.44681
347 5I35 ANP 7.44681
348 5DBX ANP 7.44681
349 4OAV ACP 7.44681
350 4WW7 AMP 7.48663
351 3JQG AX6 7.63889
352 3BMQ AX5 7.63889
353 5U6C 7YS 7.80142
354 5M06 ADP 7.80142
355 5DRB 5FJ 7.80142
356 2F57 23D 7.80142
357 4U98 ACP 7.80142
358 1V97 FAD 7.80142
359 3LXN MI1 7.86164
360 3GQI ACP 7.9646
361 2V58 LZJ 8.01782
362 5HQ0 LZ9 8.15603
363 6GU6 1QK 8.15603
364 5X8I SQZ 8.15603
365 6G33 5ID 8.15603
366 4GJ3 0XP 8.27815
367 6F5U CQN 8.33333
368 1U5R ATP 8.51064
369 3AB4 THR 8.51064
370 1CBK ROI 8.75
371 4YMJ 4EJ 8.86525
372 4K37 SAM 8.86525
373 4K39 SAM 8.86525
374 4K38 SAM 8.86525
375 4OUJ LBT 8.86525
376 3G5D 1N1 9.21986
377 4NST ADP 9.21986
378 4CRL C1I 9.21986
379 5EFQ ADP 9.21986
380 1Y57 MPZ 9.21986
381 2H8H H8H 9.21986
382 3LQV ADE 9.56522
383 4WB6 ATP 9.57447
384 4WB7 ATP 9.57447
385 4QTB 38Z 9.57447
386 4LH7 1X8 9.57447
387 4Y8D 49J 9.57447
388 5Y80 IRE 9.57447
389 5VZ0 ADP 9.92908
390 4BCM T7Z 9.92908
391 1E4E ADP 9.92908
392 2BPM 529 9.92908
393 4CFU 2WC 9.92908
394 2XMY CDK 9.92908
395 1OPK P16 9.92908
396 6ES0 BW8 9.92908
397 6GUE FB8 9.92908
398 4BCN T9N 9.92908
399 3GC0 AMP 9.92908
400 6BFN DL1 9.92908
401 5LMK 6ZK 9.92908
402 4BCQ TJF 9.92908
403 1PK8 ATP 10.2837
404 2VQD AP2 10.2837
405 1AUX AGS 10.2837
406 4WNP 3RJ 10.2837
407 2WQN ADP 10.2837
408 1W2D 4IP 10.566
409 1W2D ADP 10.566
410 1TQP ATP 10.6383
411 1KJ8 GAR 10.6383
412 1KJ8 ATP 10.6383
413 4E1Z 0MX 10.6383
414 4WNK 453 10.6383
415 4XH0 ADP 10.9929
416 5EQY 5RA 10.9929
417 4MV1 ADP 10.9929
418 2GU8 796 11.3475
419 2QF7 AGS 11.3475
420 2QCS ANP 11.3475
421 1RE8 BD2 11.3475
422 3IDB ANP 11.3475
423 3FHI ANP 11.3475
424 3IGO ANP 11.3475
425 4X7Q 3YR 11.3475
426 2WEI VGG 11.3475
427 4NZN 2OU 11.7021
428 4NZN ANP 11.7021
429 1XF1 CIT 11.7021
430 2DW7 SRT 11.7021
431 4F9C 0SX 11.8056
432 5LXT ACP 11.8881
433 3FSY SCA 12.3494
434 5C03 AGS 12.4113
435 4WOV 3SM 12.4113
436 5UPK ANP 12.4324
437 3KAL ADP 12.766
438 1PHK ATP 12.766
439 4XZ3 ACP 13.4752
440 2HGS ADP 13.4752
441 4FG8 ATP 13.4752
442 4XYM A12 13.8298
443 2VQ5 HBA 13.9303
444 2YRX AMP 14.1844
445 2R7K ACP 14.539
446 2R7K AMZ 14.539
447 4LRJ ANP 14.7929
448 5EYK 5U5 15.2542
449 4AZW ATP 16.3121
450 3VOT ADP 17.0213
451 4C2W ANP 17.3077
452 1EHI ADP 17.3759
453 2QX0 PH2 17.6101
454 1Z2P ACP 18.7943
455 1Z2P I3S 18.7943
456 4Q5H ANP 19.7368
457 4C2V YJA 20.4545
458 1Q8Y ADP 21.2766
459 1Q8Y ADE 21.2766
460 1T36 ADP 22.3404
461 1GSA ADP 35.461
462 5ZCT ANP 44.6809
Pocket No.: 2; Query (leader) PDB : 3VPC; Ligand: ADP; Similar sites found with APoc: 40
This union binding pocket(no: 2) in the query (biounit: 3vpc.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2FCU AKG 1.41844
2 1YQC GLV 1.76471
3 4GNC ASO 1.77305
4 3R77 QLI 1.91388
5 4IHQ ADP 2.12766
6 1NX4 AKG 2.1978
7 5W1E PHB 2.48227
8 3HPY MCT 2.48227
9 4NFE BEN 2.53165
10 1Z82 G3P 2.83688
11 1Z82 G3H 2.83688
12 2J6S DTP 2.83688
13 1SDW IYT 3.19149
14 2C1P FNZ 3.21101
15 4YFB PAC 3.37079
16 3G1Z AMP 3.5461
17 5FQK 6NT 3.71747
18 3SAO NKN 3.75
19 4CQB MLI 3.90071
20 3HRD MCN 3.90071
21 2ET1 GLV 3.9801
22 5WBF LAC 4.07407
23 3W5J GDP 4.41176
24 5H68 AGS 4.60993
25 4FRZ ADP 4.60993
26 1GQ2 OXL 5.31915
27 4JOB TLA 5.31915
28 4UOZ GLA 5.67376
29 4YDS ATP 5.70175
30 1WEI ADE 6.22222
31 2B56 U5P 6.38298
32 2HVW DDN 6.52174
33 4RJD TFP 7.57576
34 4L77 CNL 8.51064
35 5TSH ADP 8.51064
36 3DUV KDO 8.77863
37 5LXT GTP 11.8881
38 4XDA RIB 13.4752
39 5W97 CHD 17.0213
40 3K8D KDO 21.5909
Pocket No.: 3; Query (leader) PDB : 3VPC; Ligand: ADP; Similar sites found with APoc: 36
This union binding pocket(no: 3) in the query (biounit: 3vpc.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL None
2 5LXB 7A9 None
3 5VEQ PMP 2.12766
4 1PCA VAL 2.12766
5 4M1U A2G MBG 2.48227
6 1I06 TZL 3.33333
7 4QM9 CYS 3.46821
8 3TK1 GDP 3.5461
9 3RFA SAM 3.5461
10 3WBZ ATP 3.69004
11 3GJ0 GDP 4.0724
12 5H4S RAM 4.25532
13 3H4S ADP 4.60993
14 3PNA CMP 5.19481
15 5DH3 5BS 5.67376
16 5WHU SIA GAL GLC 6.71141
17 5WHU SIA 6.71141
18 4XWM CBK 7.44681
19 5CK5 GDP 7.44681
20 6F8N NAG NAG 7.44681
21 5C8W PCG 7.69231
22 1JQY A32 7.76699
23 4EKV BTN 8.80503
24 4Y85 499 9.21986
25 5HZ9 5M8 9.62963
26 1TMX BEZ 10.2837
27 1XS5 MET 11.2033
28 1Q6O LG6 12.037
29 5BRP PNG 12.766
30 1ZZ7 S0H 13.1313
31 1QFT HSM 14.2857
32 2XOC ADP 16.092
33 4JLS 3ZE 16.4474
34 1LOJ URI 17.2414
35 1LOJ U 17.2414
36 5AEW BNL 29.7872
Pocket No.: 4; Query (leader) PDB : 3VPC; Ligand: ADP; Similar sites found with APoc: 11
This union binding pocket(no: 4) in the query (biounit: 3vpc.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 4MZU TYD 2.83688
3 3UG4 AHR 2.83688
4 4NYT PC 5.52995
5 5A5W GUO 6.32411
6 3BP1 GUN 6.38298
7 1VKF CIT 7.44681
8 1IND EOT 7.90698
9 1G42 CP2 9.92908
10 3IO3 ADP 13.4752
11 1YRO UDP 14.6341
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