Receptor
PDB id Resolution Class Description Source Keywords
1YP4 2.3 Å EC: 2.7.7.27 CRYSTAL STRUCTURE OF POTATO TUBER ADP-GLUCOSE PYROPHOSPHORYLASE IN COMPLEX WITH ADP-GLUCOSE SOLANUM TUBEROSUM ADP-GLUCOSE PYROPHOSPHORYLASE/ADP-GLUCOSE COMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF POTATO TUBER ADP-GLUCOSE PYROPHOSPHORYLASE. EMBO J. V. 24 694 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:557;
C:558;
 Valid;
Valid;
 none;
none;
 submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
ADQ B:506;
 Valid;
 none;
 submit data
589.342 C16 H25 N5 O15 P2 c1nc(...
SO4 A:1000;
A:1007;
A:1008;
A:1020;
B:1001;
B:1006;
B:1009;
B:1021;
C:1002;
C:1005;
C:1010;
C:1022;
D:1003;
D:1004;
D:1011;
D:1023;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YP4 2.3 Å EC: 2.7.7.27 CRYSTAL STRUCTURE OF POTATO TUBER ADP-GLUCOSE PYROPHOSPHORYLASE IN COMPLEX WITH ADP-GLUCOSE SOLANUM TUBEROSUM ADP-GLUCOSE PYROPHOSPHORYLASE/ADP-GLUCOSE COMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF POTATO TUBER ADP-GLUCOSE PYROPHOSPHORYLASE. EMBO J. V. 24 694 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1YP4 - ADQ C16 H25 N5 O15 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 1YP4 - ADQ C16 H25 N5 O15 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 2 families.
1 1YP4 - ADQ C16 H25 N5 O15 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ADP; Similar ligands found: 520
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 HEJ 0.9 1
4 A2D 0.895522 0.971831
5 AQP 0.887324 1
6 5FA 0.887324 1
7 B4P 0.884058 0.971831
8 AP5 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 AD9 0.8 0.972222
22 AGS 0.8 0.945946
23 AMP MG 0.785714 0.929577
24 CA0 0.783784 0.945205
25 ADX 0.783784 0.873418
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 KG4 0.773333 0.945205
30 45A 0.763889 0.917808
31 ABM 0.763889 0.917808
32 APC 0.763158 0.958904
33 PRX 0.763158 0.893333
34 HQG 0.7625 0.985915
35 ATF 0.759494 0.958904
36 A22 0.753086 0.985915
37 ADP BEF 0.746667 0.943662
38 ADP MG 0.746667 0.943662
39 A12 0.743243 0.958904
40 AP2 0.743243 0.958904
41 SRA 0.736111 0.918919
42 ADQ 0.73494 0.945205
43 25L 0.732558 0.985915
44 5AL 0.725 0.931507
45 8LE 0.725 0.894737
46 2A5 0.717949 0.918919
47 A1R 0.714286 0.907895
48 AU1 0.714286 0.972222
49 A3R 0.714286 0.907895
50 APC MG 0.708861 0.917808
51 ATR 0.708861 0.971429
52 PAP 0.708861 0.985714
53 ATP MG 0.708861 0.943662
54 ADP PO3 0.708861 0.943662
55 8LH 0.707317 0.906667
56 SRP 0.707317 0.906667
57 7D3 0.706667 0.905405
58 JNT 0.705882 0.945205
59 OZV 0.702381 0.971831
60 25A 0.702381 0.971831
61 BEF ADP 0.7 0.917808
62 OAD 0.697674 0.945205
63 9X8 0.697674 0.92
64 8LQ 0.690476 0.906667
65 QA7 0.690476 0.894737
66 RBY 0.6875 0.932432
67 ADV 0.6875 0.932432
68 00A 0.686047 0.883117
69 5SV 0.682353 0.848101
70 OOB 0.682353 0.931507
71 8QN 0.682353 0.931507
72 3OD 0.681818 0.945205
73 BIS 0.681818 0.933333
74 ANP MG 0.674699 0.931507
75 VO4 ADP 0.674699 0.945205
76 ALF ADP 0.674699 0.87013
77 AMO 0.674419 0.932432
78 4AD 0.674419 0.92
79 PAJ 0.674419 0.884615
80 GAP 0.670732 0.893333
81 MAP 0.670588 0.945946
82 DLL 0.666667 0.931507
83 AHX 0.666667 0.896104
84 PTJ 0.662921 0.896104
85 V2G 0.662651 0.896104
86 KMQ 0.659341 0.932432
87 3UK 0.659091 0.918919
88 SON 0.658228 0.932432
89 LMS 0.653333 0.82716
90 B5V 0.651685 0.906667
91 WAQ 0.651685 0.883117
92 LAD 0.651685 0.860759
93 PR8 0.651685 0.85
94 7D4 0.65 0.905405
95 ITT 0.65 0.943662
96 G5P 0.648936 0.921053
97 RAB 0.647059 0.84507
98 XYA 0.647059 0.84507
99 ADN 0.647059 0.84507
100 ME8 0.644444 0.839506
101 TXA 0.644444 0.932432
102 NB8 0.644444 0.896104
103 FYA 0.644444 0.905405
104 1ZZ 0.644444 0.839506
105 6AD 0.642857 0.909091
106 ADP BMA 0.640449 0.918919
107 G3A 0.638298 0.921053
108 DAL AMP 0.632184 0.905405
109 AFH 0.631579 0.884615
110 9SN 0.630435 0.871795
111 9ZA 0.625 0.907895
112 DQV 0.625 0.958333
113 GTA 0.625 0.886076
114 9ZD 0.625 0.907895
115 FA5 0.623656 0.906667
116 B5M 0.623656 0.894737
117 B5Y 0.623656 0.894737
118 UP5 0.622449 0.92
119 CUU 0.621951 0.971831
120 NO7 0.62069 0.932432
121 JSQ 0.619048 0.945946
122 HFD 0.619048 0.945946
123 XAH 0.617021 0.839506
124 AV2 0.616279 0.917808
125 AOC 0.615385 0.821918
126 48N 0.612245 0.896104
127 4UV 0.610526 0.894737
128 NAX 0.606061 0.873418
129 DND 0.606061 0.932432
130 TXD 0.606061 0.907895
131 NAI 0.606061 0.907895
132 6V0 0.606061 0.896104
133 5N5 0.605634 0.819444
134 5AS 0.604938 0.77907
135 A4P 0.60396 0.843373
136 DAT 0.60241 0.905405
137 A2R 0.602273 0.985915
138 OMR 0.6 0.851852
139 TXE 0.6 0.907895
140 GA7 0.597938 0.906667
141 4UU 0.597938 0.894737
142 5CD 0.597222 0.805556
143 A4D 0.597222 0.819444
144 L3W 0.594059 0.932432
145 AP0 0.594059 0.896104
146 4TC 0.594059 0.896104
147 A3P 0.592593 0.971429
148 T5A 0.592233 0.841463
149 139 0.592233 0.873418
150 7D5 0.592105 0.878378
151 ATP A A A 0.589474 0.930556
152 ATP A 0.589474 0.930556
153 LAQ 0.585859 0.839506
154 MYR AMP 0.585106 0.817073
155 H1Q 0.583333 0.90411
156 F2R 0.580952 0.864198
157 YLP 0.58 0.819277
158 UPA 0.578431 0.907895
159 7DD 0.578313 0.985714
160 3AM 0.576923 0.929577
161 ADJ 0.576923 0.851852
162 NAD 0.575472 0.931507
163 COD 0.575472 0.811765
164 3AT 0.574713 0.971831
165 JB6 0.574468 0.883117
166 4UW 0.574257 0.860759
167 EP4 0.573333 0.753247
168 A2P 0.573171 0.957143
169 CNA 0.571429 0.932432
170 TYM 0.568627 0.906667
171 PPS 0.568182 0.873418
172 DTA 0.565789 0.786667
173 M2T 0.565789 0.734177
174 AR6 AR6 0.565657 0.917808
175 80F 0.564815 0.841463
176 A3D 0.564815 0.918919
177 3DH 0.564103 0.773333
178 G5A 0.563218 0.77907
179 YLB 0.563107 0.819277
180 YLC 0.563107 0.839506
181 AMP DBH 0.561224 0.893333
182 MTA 0.558442 0.773333
183 DTP 0.556818 0.905405
184 AHZ 0.554455 0.817073
185 NA7 0.553191 0.958904
186 IOT 0.552381 0.831325
187 ARG AMP 0.55 0.829268
188 ZAS 0.55 0.766234
189 7MD 0.55 0.8625
190 IMO 0.548781 0.929577
191 YLA 0.54717 0.819277
192 NAE 0.544643 0.894737
193 TAD 0.544554 0.884615
194 A5A 0.544444 0.807229
195 2AM 0.544304 0.943662
196 TSB 0.543478 0.819277
197 6RE 0.54321 0.759494
198 6MZ 0.542169 0.930556
199 AYB 0.542056 0.809524
200 NAQ 0.539823 0.871795
201 V3L 0.539326 0.971831
202 AF3 ADP 3PG 0.538462 0.8375
203 ALF ADP 3PG 0.538462 0.8375
204 SSA 0.538462 0.8
205 ZID 0.535088 0.918919
206 LPA AMP 0.533981 0.817073
207 NAD IBO 0.533333 0.917808
208 NAD TDB 0.533333 0.917808
209 VMS 0.532609 0.788235
210 54H 0.532609 0.788235
211 52H 0.532609 0.77907
212 BTX 0.53211 0.841463
213 A3N 0.53012 0.786667
214 J7C 0.53012 0.769231
215 5X8 0.528736 0.763158
216 BT5 0.527273 0.831325
217 53H 0.526882 0.77907
218 8X1 0.526882 0.752809
219 5CA 0.526882 0.8
220 ARU 0.526316 0.860759
221 EAD 0.525862 0.873418
222 RGT 0.525253 0.958904
223 OVE 0.52439 0.905405
224 S4M 0.52381 0.666667
225 7DT 0.522727 0.985714
226 DDS 0.522222 0.878378
227 GDP 0.522222 0.92
228 38V 0.521739 0.886076
229 AVV 0.521277 0.896104
230 NDE 0.521008 0.932432
231 LEU LMS 0.520833 0.730337
232 7MC 0.518868 0.841463
233 DSH 0.518072 0.725
234 MAO 0.517647 0.759036
235 LSS 0.515789 0.761364
236 DSZ 0.515789 0.8
237 NSS 0.515789 0.8
238 P5A 0.515464 0.744444
239 DZD 0.513514 0.884615
240 NWW 0.513158 0.760563
241 O02 0.511111 0.921053
242 NVA LMS 0.510417 0.752809
243 9K8 0.510204 0.714286
244 12D 0.509615 0.785714
245 YLY 0.508772 0.809524
246 M24 0.508772 0.85
247 P1H 0.508333 0.851852
248 5AD 0.506849 0.746479
249 GJV 0.505882 0.75
250 AMP NAD 0.504505 0.905405
251 4TA 0.504505 0.807229
252 NAJ PZO 0.504425 0.848101
253 D4F 0.504348 0.839506
254 KAA 0.5 0.752809
255 GSU 0.5 0.77907
256 71V 0.5 0.907895
257 7D7 0.5 0.743243
258 A3G 0.5 0.8
259 128 0.5 0.776471
260 NDC 0.5 0.871795
261 N0B 0.495726 0.819277
262 NJP 0.495495 0.945946
263 ODP 0.495495 0.909091
264 K3K 0.49505 0.802632
265 2SA 0.494624 0.932432
266 6C6 0.494505 0.881579
267 SFG 0.494382 0.75
268 0WD 0.491071 0.921053
269 LQJ 0.490196 0.917808
270 B1U 0.490196 0.736264
271 YSA 0.490196 0.77907
272 PO4 PO4 A A A A PO4 0.489796 0.902778
273 SAM 0.48913 0.690476
274 6IA 0.48913 0.8375
275 A7D 0.488636 0.776316
276 6FA 0.488 0.841463
277 FB0 0.487805 0.804598
278 NAJ PYZ 0.487179 0.807229
279 J4G 0.484848 0.92
280 A5D 0.483516 0.786667
281 IDP 0.483516 0.918919
282 SA8 0.483516 0.707317
283 PGS 0.483146 0.883117
284 MHZ 0.483146 0.697674
285 DA 0.482353 0.878378
286 NEC 0.482353 0.746667
287 D5M 0.482353 0.878378
288 NIA 0.481928 0.822785
289 Y3J 0.480519 0.726027
290 8PZ 0.480392 0.8
291 FAD 0.480315 0.851852
292 FAS 0.480315 0.851852
293 FDA 0.48 0.833333
294 N6P 0.479592 0.915493
295 GGZ 0.479167 0.825
296 SAI 0.478261 0.734177
297 SAH 0.478261 0.74359
298 NPW 0.477477 0.886076
299 NDP 0.477477 0.921053
300 AAM 0.476744 0.971429
301 AMZ 0.47561 0.916667
302 C2R 0.47561 0.90411
303 SMM 0.473684 0.686047
304 GTP 0.473684 0.92
305 NZQ 0.473214 0.909091
306 TXP 0.473214 0.921053
307 A3S 0.47191 0.810811
308 K3E 0.471154 0.792208
309 NWQ 0.46988 0.739726
310 SFD 0.46875 0.734043
311 AIR 0.468354 0.901408
312 AAT 0.468085 0.707317
313 EEM 0.468085 0.690476
314 7C5 0.466667 0.818182
315 Z5A 0.466667 0.77907
316 J7V 0.466667 0.833333
317 62F 0.465649 0.8625
318 N5O 0.465116 0.763158
319 HDV 0.463158 0.893333
320 KOY 0.462963 0.802632
321 FAY 0.462121 0.8625
322 DCA 0.461538 0.823529
323 A3T 0.461538 0.821918
324 ETB 0.461538 0.833333
325 A6D 0.46 0.722892
326 6K6 0.459184 0.930556
327 QXP 0.459184 0.785714
328 GEK 0.459184 0.7375
329 RFL 0.458647 0.821429
330 S7M 0.458333 0.690476
331 V47 0.458333 0.783784
332 NAP 0.458333 0.945205
333 4YB 0.457944 0.761364
334 CZF 0.457447 0.931507
335 TAP 0.454545 0.907895
336 N5A 0.454545 0.736842
337 FNK 0.454545 0.804598
338 WSA 0.454545 0.788235
339 COA 0.453782 0.823529
340 0T1 0.453782 0.823529
341 101 0.453488 0.878378
342 QBQ 0.452632 0.906667
343 DZ4 0.452632 0.881579
344 XNP 0.452174 0.873418
345 K2R 0.45098 0.88
346 NA0 0.45082 0.932432
347 7RP 0.448276 0.928571
348 K2W 0.447619 0.740741
349 GP3 0.446809 0.921053
350 TM1 0.446602 0.77381
351 APU 0.446429 0.894737
352 KL2 0.445783 0.837838
353 QXG 0.445545 0.776471
354 PUA 0.445378 0.884615
355 V1N 0.443396 0.917808
356 7RA 0.443182 0.957747
357 CAO 0.442623 0.795455
358 30N 0.442623 0.752688
359 COS 0.442623 0.804598
360 AMX 0.442623 0.833333
361 K38 0.442308 0.779221
362 QQY 0.44186 0.815789
363 ACK 0.44186 0.861111
364 649 0.441441 0.744444
365 R2V 0.441176 0.785714
366 0UM 0.44 0.698795
367 NHD 0.439655 0.905405
368 SCO 0.439024 0.823529
369 CMX 0.439024 0.823529
370 GCP 0.438776 0.896104
371 8BR 0.438202 0.906667
372 GNH 0.4375 0.907895
373 3AD 0.4375 0.805556
374 8Q2 0.4375 0.772727
375 O05 0.436893 0.843373
376 NVA 2AD 0.43617 0.759494
377 62X 0.435644 0.666667
378 K2H 0.435644 0.75641
379 ACO 0.435484 0.795455
380 FAM 0.435484 0.804598
381 FCX 0.435484 0.795455
382 9JJ 0.434783 0.8625
383 KY2 0.434343 0.731707
384 9GM 0.434343 0.896104
385 GNP 0.434343 0.896104
386 K3H 0.433962 0.75
387 NMX 0.433071 0.76087
388 MGP 0.43299 0.884615
389 26A 0.432099 0.763158
390 HAX 0.432 0.804598
391 K15 0.431373 0.682353
392 9BG 0.431034 0.896104
393 DG1 0.430894 0.921053
394 1DG 0.430894 0.921053
395 QQX 0.430233 0.805195
396 2VA 0.430108 0.8
397 S8M 0.43 0.759494
398 2MC 0.429688 0.769231
399 PLP AAD 0.428571 0.733333
400 6G0 0.428571 0.884615
401 3KK 0.428571 0.804598
402 P5F 0.428571 0.823529
403 NAD BBN 0.428571 0.841463
404 FYN 0.428571 0.823529
405 KGA 0.427481 0.744681
406 7L1 0.427419 0.795455
407 K2K 0.427184 0.7375
408 NX8 0.427083 0.716049
409 RMB 0.426966 0.873239
410 AS 0.426966 0.833333
411 FAI 0.426966 0.916667
412 KGJ 0.426357 0.752688
413 KYB 0.425743 0.731707
414 1RB 0.425287 0.885714
415 KGP 0.425197 0.729167
416 OXK 0.425197 0.804598
417 COK 0.425197 0.804598
418 SOP 0.425197 0.804598
419 MCD 0.425197 0.804598
420 CA6 0.425197 0.729167
421 YZS 0.425197 0.729167
422 G1R 0.424242 0.907895
423 CC5 0.423077 0.816901
424 SXZ 0.423077 0.710843
425 F2N 0.422535 0.813953
426 NAD CJ3 0.422222 0.811765
427 EO7 0.422222 0.788235
428 ANZ 0.422018 0.8
429 CMC 0.421875 0.804598
430 CO6 0.421875 0.804598
431 1VU 0.421875 0.795455
432 ZDA 0.421053 0.864865
433 GKE 0.420561 0.884615
434 GDC 0.420561 0.884615
435 GDD 0.420561 0.884615
436 NFD 0.420168 0.883117
437 GSP 0.42 0.873418
438 D3Y 0.42 0.789474
439 MC4 0.419847 0.76087
440 3D1 0.419753 0.773333
441 3L1 0.419753 0.773333
442 FA9 0.41958 0.864198
443 G 0.419355 0.906667
444 5GP 0.419355 0.906667
445 KB1 0.419048 0.698795
446 KY5 0.419048 0.725
447 SCD 0.418605 0.823529
448 CAJ 0.418605 0.804598
449 2BA 0.417582 0.915493
450 CMP 0.417582 0.901408
451 SO8 0.416667 0.789474
452 VRT 0.416667 0.769231
453 KFV 0.416667 0.736842
454 N01 0.416667 0.905405
455 1HE 0.415385 0.786517
456 3HC 0.415385 0.813953
457 BCO 0.415385 0.804598
458 MLC 0.415385 0.804598
459 IVC 0.415385 0.813953
460 A1S 0.415385 0.804598
461 NMN AMP PO4 0.415254 0.87013
462 2FA 0.414634 0.813333
463 MGO 0.414141 0.860759
464 FAJ 0.413793 0.831325
465 3NZ 0.413462 0.782051
466 KY8 0.413462 0.728395
467 Q34 0.412281 0.674419
468 LCV 0.412214 0.721649
469 COO 0.412214 0.804598
470 MCA 0.412214 0.795455
471 CAA 0.412214 0.813953
472 SO5 0.412214 0.721649
473 YE1 0.412214 0.813953
474 GAV 0.411765 0.884615
475 PRT 0.411215 0.931507
476 JLN 0.411111 0.890411
477 P2P 0.411111 0.902778
478 OZP 0.410714 0.728395
479 NWZ 0.410526 0.703704
480 ZZB 0.410256 0.77381
481 CNV FAD 0.410072 0.793103
482 YXR 0.409091 0.729167
483 2CP 0.409091 0.795455
484 YXS 0.409091 0.729167
485 SCA 0.409091 0.804598
486 SP1 0.409091 0.842105
487 RP1 0.409091 0.842105
488 103 0.409091 0.837838
489 PAX 0.408 0.829268
490 KYE 0.407407 0.714286
491 FAD NBT 0.407143 0.75
492 BYC 0.406015 0.804598
493 1GZ 0.406015 0.795455
494 IRC 0.406015 0.813953
495 CA8 0.406015 0.729167
496 3CP 0.406015 0.804598
497 COW 0.406015 0.795455
498 HGG 0.406015 0.804598
499 COF 0.406015 0.786517
500 2KQ 0.406015 0.786517
501 G2P 0.405941 0.884615
502 KXW 0.405405 0.707317
503 SLU 0.404959 0.770115
504 RBZ 0.404494 0.849315
505 1CZ 0.404412 0.795455
506 Q2P 0.403361 0.674419
507 COA FLC 0.403226 0.790698
508 FAQ 0.402985 0.804598
509 BCA 0.402985 0.795455
510 4CA 0.402985 0.795455
511 MTP 0.402439 0.730769
512 8OD 0.402062 0.945205
513 HZ2 0.401786 0.731707
514 CO7 0.401515 0.804598
515 ENQ 0.4 0.916667
516 GMV 0.4 0.896104
517 HXC 0.4 0.786517
518 G2R 0.4 0.884615
519 GRA 0.4 0.804598
520 HF7 0.4 0.893333
Ligand no: 2; Ligand: ADQ; Similar ligands found: 410
No: Ligand ECFP6 Tc MDL keys Tc
1 ADQ 1 1
2 A2D 0.7625 0.972222
3 HQG 0.761364 0.958904
4 BA3 0.743902 0.972222
5 B4P 0.73494 0.972222
6 AP5 0.73494 0.972222
7 ADP 0.73494 0.945205
8 AGS 0.732558 0.896104
9 ATP 0.729412 0.945205
10 HEJ 0.729412 0.945205
11 AN2 0.72619 0.932432
12 APR 0.72093 0.972222
13 AR6 0.72093 0.972222
14 AQP 0.72093 0.945205
15 5FA 0.72093 0.945205
16 ADP BMA 0.72043 0.972603
17 AD9 0.712644 0.92
18 AT4 0.705882 0.907895
19 M33 0.697674 0.932432
20 A22 0.695652 0.958904
21 ACP 0.689655 0.92
22 AMP 0.682927 0.917808
23 A 0.682927 0.917808
24 ACQ 0.677778 0.92
25 ATF 0.663043 0.907895
26 ANP 0.659341 0.92
27 ADX 0.659091 0.851852
28 CA0 0.659091 0.945946
29 AFH 0.656863 0.935065
30 6YZ 0.655914 0.92
31 KG4 0.651685 0.945946
32 50T 0.651685 0.906667
33 25L 0.646465 0.958904
34 PRX 0.644444 0.87013
35 ABM 0.639535 0.893333
36 45A 0.639535 0.893333
37 3OD 0.636364 0.945946
38 25A 0.635417 0.945205
39 AMP MG 0.635294 0.90411
40 SRA 0.635294 0.87013
41 OAD 0.632653 0.945946
42 9X8 0.632653 0.921053
43 A3R 0.628866 0.909091
44 A1R 0.628866 0.909091
45 APC 0.626374 0.907895
46 AP2 0.625 0.907895
47 A12 0.625 0.907895
48 TAT 0.623656 0.907895
49 T99 0.623656 0.907895
50 JNT 0.622449 0.945946
51 8LE 0.617021 0.896104
52 5AL 0.617021 0.932432
53 GKE 0.61165 0.910256
54 GDD 0.61165 0.910256
55 GDC 0.61165 0.910256
56 ADP MG 0.611111 0.917808
57 ADP BEF 0.611111 0.917808
58 00A 0.606061 0.909091
59 AU1 0.604396 0.92
60 8LH 0.604167 0.933333
61 SRP 0.604167 0.933333
62 139 0.603604 0.898734
63 ADV 0.602151 0.933333
64 RBY 0.602151 0.933333
65 OOB 0.602041 0.958904
66 KMQ 0.601942 0.933333
67 3UK 0.6 0.945946
68 4AD 0.59596 0.921053
69 QA7 0.591837 0.896104
70 8LQ 0.591837 0.907895
71 BIS 0.588235 0.884615
72 8QN 0.585859 0.932432
73 5SV 0.585859 0.82716
74 OZV 0.585859 0.945205
75 ATP MG 0.585106 0.917808
76 ADP PO3 0.585106 0.917808
77 APC MG 0.585106 0.893333
78 G3A 0.584906 0.897436
79 A2R 0.581633 0.958904
80 AMO 0.58 0.933333
81 PAJ 0.58 0.910256
82 G5P 0.579439 0.897436
83 BEF ADP 0.578947 0.893333
84 VO4 ADP 0.57732 0.894737
85 RAB 0.575 0.847222
86 XYA 0.575 0.847222
87 ADN 0.575 0.847222
88 AHX 0.574257 0.897436
89 DLL 0.574257 0.958904
90 GTA 0.574074 0.864198
91 PTJ 0.572816 0.873418
92 ME8 0.572816 0.841463
93 UP5 0.572727 0.921053
94 PAP 0.568421 0.931507
95 ATR 0.568421 0.917808
96 V2G 0.56701 0.897436
97 B5V 0.563107 0.933333
98 PR8 0.563107 0.875
99 LAD 0.563107 0.886076
100 WAQ 0.563107 0.884615
101 UPA 0.5625 0.934211
102 9SN 0.561905 0.897436
103 ALF ADP 0.561224 0.848101
104 ANP MG 0.561224 0.906667
105 MAP 0.56 0.896104
106 DQV 0.559633 0.958904
107 SON 0.55914 0.907895
108 TXD 0.558559 0.909091
109 6V0 0.558559 0.897436
110 NB8 0.557692 0.897436
111 TXA 0.557692 0.933333
112 1ZZ 0.557692 0.841463
113 FYA 0.557692 0.906667
114 A4P 0.557522 0.845238
115 GAP 0.556701 0.92
116 B5Y 0.556604 0.921053
117 OMR 0.553571 0.853659
118 ITT 0.553191 0.891892
119 LMS 0.550562 0.807229
120 48N 0.54955 0.897436
121 AP0 0.548673 0.897436
122 4TC 0.548673 0.897436
123 4UV 0.546296 0.921053
124 DND 0.544643 0.959459
125 NAI 0.544643 0.909091
126 NAX 0.544643 0.875
127 DAL AMP 0.544554 0.906667
128 FA5 0.542056 0.933333
129 B5M 0.542056 0.921053
130 2A5 0.541667 0.894737
131 LAQ 0.540541 0.841463
132 TXE 0.539823 0.909091
133 9ZD 0.539216 0.884615
134 9ZA 0.539216 0.884615
135 AOC 0.538462 0.8
136 80F 0.537815 0.865854
137 A3P 0.537634 0.917808
138 XAH 0.537037 0.841463
139 7D4 0.536842 0.881579
140 GA7 0.536364 0.933333
141 AR6 AR6 0.536364 0.945205
142 L3W 0.535088 0.907895
143 T5A 0.534483 0.843373
144 5AS 0.531915 0.781609
145 ATP A A A 0.527778 0.931507
146 ATP A 0.527778 0.931507
147 7D3 0.526882 0.881579
148 V3L 0.525253 0.945205
149 NA7 0.52381 0.907895
150 4UU 0.522523 0.921053
151 3AM 0.522222 0.90411
152 ADJ 0.521368 0.876543
153 A2P 0.521277 0.90411
154 COD 0.521008 0.813953
155 PPS 0.52 0.829268
156 4UW 0.517544 0.886076
157 CNA 0.516949 0.933333
158 JSQ 0.515152 0.896104
159 HFD 0.515152 0.896104
160 G5A 0.515152 0.781609
161 F2R 0.512605 0.865854
162 YLP 0.508772 0.843373
163 5N5 0.505882 0.821918
164 6AD 0.504951 0.8625
165 EAD 0.503937 0.875
166 JB6 0.5 0.884615
167 7D5 0.5 0.855263
168 5CD 0.5 0.783784
169 TYM 0.5 0.933333
170 A4D 0.5 0.821918
171 NAD 0.495868 0.932432
172 YLA 0.495798 0.843373
173 YLC 0.495726 0.864198
174 YLB 0.495726 0.843373
175 ARG AMP 0.495575 0.831325
176 MYR AMP 0.495413 0.819277
177 2AM 0.494505 0.917808
178 NO7 0.490385 0.907895
179 MTA 0.488889 0.753247
180 P1H 0.48855 0.853659
181 38V 0.488189 0.864198
182 M24 0.488 0.875
183 A3D 0.487805 0.92
184 NJP 0.487603 0.921053
185 IOT 0.487395 0.833333
186 TSB 0.485714 0.8
187 A5A 0.485437 0.788235
188 H1Q 0.484848 0.88
189 IMO 0.484211 0.878378
190 ZAS 0.483871 0.746835
191 EP4 0.483146 0.734177
192 LPA AMP 0.482759 0.819277
193 SSA 0.480769 0.802326
194 3AT 0.480392 0.918919
195 AYB 0.479339 0.833333
196 OVE 0.478723 0.881579
197 6RE 0.478723 0.740741
198 3DH 0.478261 0.753247
199 TAD 0.478261 0.8625
200 AMP DBH 0.477876 0.92
201 GDR 0.477876 0.886076
202 GFB 0.477876 0.886076
203 M2T 0.477778 0.716049
204 DTA 0.477778 0.789474
205 NSS 0.476636 0.781609
206 LSS 0.476636 0.744444
207 PUA 0.47619 0.8625
208 52H 0.47619 0.761364
209 VMS 0.47619 0.770115
210 YLY 0.47619 0.833333
211 54H 0.47619 0.770115
212 AHZ 0.474138 0.819277
213 6CK 0.473684 0.864198
214 RGT 0.473214 0.933333
215 D4F 0.472441 0.864198
216 NAE 0.472441 0.896104
217 NVA LMS 0.472222 0.736264
218 53H 0.471698 0.761364
219 8X1 0.471698 0.755556
220 5CA 0.471698 0.802326
221 BTX 0.471545 0.8
222 0WD 0.471545 0.897436
223 62F 0.471429 0.8875
224 AV2 0.471154 0.868421
225 FB0 0.470149 0.786517
226 CUU 0.47 0.918919
227 7MD 0.469565 0.8875
228 NAQ 0.46875 0.873418
229 A3N 0.46875 0.789474
230 BT5 0.467742 0.811765
231 AVV 0.46729 0.873418
232 C5G 0.46729 0.833333
233 TXP 0.467213 0.897436
234 DTP 0.466019 0.857143
235 7DT 0.465347 0.931507
236 ZID 0.465116 0.92
237 7DD 0.464646 0.931507
238 6MZ 0.463918 0.88
239 P5A 0.463636 0.747253
240 ODP 0.463415 0.886076
241 DSZ 0.462963 0.802326
242 AF3 ADP 3PG 0.462185 0.839506
243 ALF ADP 3PG 0.462185 0.839506
244 GDX 0.461538 0.897436
245 NAJ PZO 0.460317 0.85
246 NPW 0.459016 0.864198
247 NDP 0.459016 0.897436
248 ARU 0.458716 0.817073
249 NAD TDB 0.458333 0.918919
250 NAD IBO 0.458333 0.918919
251 LQJ 0.45614 0.945205
252 YSA 0.45614 0.781609
253 DZD 0.456 0.886076
254 5X8 0.455446 0.766234
255 DAT 0.455446 0.857143
256 NZQ 0.455285 0.886076
257 NDE 0.455224 0.907895
258 LEU LMS 0.454545 0.733333
259 J7C 0.453608 0.75
260 V1N 0.452174 0.945205
261 KAA 0.45045 0.755556
262 GSU 0.45045 0.781609
263 GZ0 0.45 0.898734
264 6FA 0.449275 0.843373
265 S4M 0.44898 0.670455
266 GJV 0.44898 0.731707
267 NDC 0.448529 0.873418
268 4TA 0.448 0.809524
269 K3K 0.447368 0.828947
270 9K8 0.446429 0.736264
271 7MC 0.446281 0.865854
272 NAJ PYZ 0.446154 0.809524
273 71V 0.444444 0.860759
274 MAO 0.444444 0.741176
275 UPG 0.443396 0.828947
276 GDU 0.443396 0.828947
277 UFM 0.443396 0.828947
278 DSH 0.443299 0.728395
279 SFD 0.442857 0.736842
280 FAD 0.442857 0.853659
281 FAS 0.442857 0.853659
282 N0B 0.442748 0.865854
283 APU 0.442623 0.896104
284 JB3 0.442623 0.875
285 O02 0.442308 0.873418
286 FDA 0.442029 0.813953
287 PO4 PO4 A A A A PO4 0.441441 0.90411
288 JB2 0.440678 0.886076
289 GKD 0.440678 0.910256
290 DDS 0.438095 0.831169
291 J4G 0.4375 0.896104
292 XNP 0.436508 0.851852
293 AMP NAD 0.436508 0.932432
294 8PZ 0.434783 0.802326
295 RFL 0.434483 0.823529
296 DCA 0.434109 0.804598
297 ETB 0.434109 0.813953
298 NWW 0.433333 0.739726
299 PGS 0.431373 0.8375
300 B1U 0.431034 0.73913
301 FNK 0.430556 0.786517
302 TAP 0.428571 0.884615
303 6C6 0.428571 0.835443
304 DAU 0.428571 0.746988
305 SAH 0.428571 0.746835
306 A3G 0.428571 0.802632
307 Z5A 0.428571 0.781609
308 4YB 0.428571 0.784091
309 FAY 0.427586 0.864198
310 COA 0.427481 0.804598
311 0T1 0.427481 0.804598
312 SFG 0.427184 0.753247
313 5AD 0.425287 0.726027
314 6IA 0.424528 0.817073
315 7C5 0.423729 0.820513
316 9JJ 0.422819 0.864198
317 2GW 0.422414 0.820513
318 ACO 0.422222 0.777778
319 A7D 0.421569 0.779221
320 A3S 0.421569 0.813333
321 KOY 0.421488 0.828947
322 NAP 0.421053 0.92
323 7D7 0.420455 0.746667
324 CO6 0.42029 0.786517
325 N6P 0.419643 0.890411
326 SA8 0.419048 0.710843
327 A5D 0.419048 0.789474
328 GGZ 0.418182 0.804878
329 GSP 0.418182 0.829268
330 128 0.418033 0.77907
331 1DG 0.41791 0.897436
332 CAO 0.41791 0.777778
333 AMX 0.41791 0.813953
334 COS 0.41791 0.786517
335 DG1 0.41791 0.897436
336 30N 0.41791 0.736842
337 MHZ 0.417476 0.701149
338 9BG 0.417323 0.897436
339 2MC 0.417266 0.752688
340 2SA 0.416667 0.907895
341 3KK 0.416058 0.786517
342 1GZ 0.415493 0.777778
343 K3E 0.415254 0.818182
344 SAI 0.415094 0.7375
345 GP3 0.415094 0.897436
346 7L1 0.414815 0.777778
347 SCO 0.414815 0.825581
348 CMX 0.414815 0.825581
349 NA0 0.414815 0.907895
350 WSA 0.414634 0.790698
351 GEK 0.414414 0.740741
352 QXP 0.414414 0.788235
353 1HE 0.414286 0.769231
354 D5M 0.414141 0.831169
355 DA 0.414141 0.831169
356 NEC 0.414141 0.75
357 GPD 0.413223 0.853659
358 OXK 0.413043 0.806818
359 SMM 0.412844 0.689655
360 GTP 0.412844 0.871795
361 FCX 0.411765 0.797753
362 FAM 0.411765 0.786517
363 MCA 0.411348 0.797753
364 8Q2 0.41129 0.775281
365 GDP 0.411215 0.871795
366 SAM 0.411215 0.694118
367 1VU 0.410072 0.777778
368 AAM 0.41 0.917808
369 G1R 0.409091 0.884615
370 HAX 0.408759 0.786517
371 YXS 0.408451 0.714286
372 YXR 0.408451 0.714286
373 GNH 0.407407 0.860759
374 AAT 0.407407 0.710843
375 EEM 0.407407 0.694118
376 K2W 0.40678 0.765432
377 Y3J 0.406593 0.706667
378 C2R 0.40625 0.88
379 AMZ 0.40625 0.866667
380 FYN 0.405797 0.804598
381 JBT 0.405714 0.757895
382 NVA 2AD 0.40566 0.7625
383 IRC 0.405594 0.795455
384 3HC 0.404255 0.795455
385 BCO 0.404255 0.786517
386 MLC 0.404255 0.806818
387 IVC 0.404255 0.795455
388 101 0.40404 0.855263
389 HDV 0.40367 0.846154
390 A6D 0.403509 0.72619
391 649 0.403226 0.747253
392 YZS 0.402878 0.714286
393 MCD 0.402878 0.806818
394 KGP 0.402878 0.714286
395 SOP 0.402878 0.786517
396 CA6 0.402878 0.714286
397 COK 0.402878 0.786517
398 4CA 0.402778 0.797753
399 BCA 0.402778 0.797753
400 F2N 0.402597 0.795455
401 6K6 0.401786 0.905405
402 K38 0.401709 0.805195
403 12D 0.401639 0.788235
404 CAA 0.401408 0.795455
405 COO 0.401408 0.786517
406 S7M 0.4 0.694118
407 CMC 0.4 0.806818
408 V47 0.4 0.810811
409 A3T 0.4 0.824324
410 NMX 0.4 0.744681
Similar Ligands (3D)
Ligand no: 1; Ligand: ADP; Similar ligands found: 65
No: Ligand Similarity coefficient
1 BMQ 1.0000
2 ADP ALF 0.9881
3 ADP AF3 0.9881
4 ADP VO4 0.9881
5 DGI 0.9763
6 GDP MG 0.9684
7 GDP BEF 0.9644
8 ALF GDP 0.9644
9 GDP ALF 0.9644
10 BEF GDP 0.9610
11 GDP AF3 0.9610
12 NYZ 0.9560
13 M7G 0.9527
14 GP2 0.9485
15 UDP 0.9410
16 G8D 0.9364
17 TYD 0.9340
18 CDP 0.9333
19 GCQ 0.9290
20 8GD 0.9252
21 CDP MG 0.9246
22 DUD 0.9233
23 YYY 0.9230
24 D4D 0.9127
25 KB7 0.9099
26 DUN 0.9081
27 TBD 0.9046
28 IMP 0.9020
29 IRP 0.8992
30 MGT 0.8986
31 FMP 0.8980
32 UDP UDP 0.8979
33 G3D 0.8938
34 UC5 0.8921
35 ALF 5GP 0.8902
36 7XL 0.8868
37 GTP MG 0.8843
38 XMP 0.8838
39 IMU 0.8829
40 MOD 0.8822
41 C8M 0.8795
42 A8M 0.8784
43 8OP 0.8777
44 DG 0.8750
45 DGP 0.8750
46 MSP 0.8735
47 G7M 0.8734
48 6MA 0.8734
49 6CG 0.8732
50 PFU 0.8701
51 FZT 0.8697
52 DBG 0.8693
53 DGT 0.8685
54 FZQ 0.8683
55 MZP 0.8680
56 93A 0.8679
57 S3N 0.8673
58 0RC 0.8661
59 TKW 0.8651
60 5FU 0.8637
61 FNU 0.8616
62 FZK 0.8607
63 UTP 0.8603
64 UP6 0.8572
65 NMN 0.8537
Ligand no: 2; Ligand: ADQ; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YP4; Ligand: ADP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1yp4.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1YP4; Ligand: ADP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1yp4.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1YP4; Ligand: ADQ; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 1yp4.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 2X65 M1P 9.52381
2 2X65 M1P 9.52381
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