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 1 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 1 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 1 families.
1 1YP4 - ADQ C16 H25 N5 O15 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
Ligand no: 2; Ligand: ADQ; Similar ligands found: 359
No: Ligand ECFP6 Tc MDL keys Tc
1 ADQ 1 1
2 A2D 0.7625 0.972222
3 BA3 0.743902 0.972222
4 B4P 0.73494 0.972222
5 ADP 0.73494 0.945205
6 AP5 0.73494 0.972222
7 SAP 0.732558 0.896104
8 AGS 0.732558 0.896104
9 ATP 0.729412 0.945205
10 AN2 0.72619 0.932432
11 AQP 0.72093 0.945205
12 5FA 0.72093 0.945205
13 APR 0.72093 0.972222
14 AR6 0.72093 0.972222
15 ADP BMA 0.72043 0.972603
16 AD9 0.712644 0.92
17 M33 0.697674 0.932432
18 A22 0.695652 0.958904
19 ACP 0.689655 0.92
20 AMP 0.682927 0.917808
21 A 0.682927 0.917808
22 ACQ 0.677778 0.92
23 ATF 0.663043 0.907895
24 ANP 0.659341 0.92
25 ADX 0.659091 0.851852
26 CA0 0.659091 0.945946
27 AFH 0.656863 0.935065
28 50T 0.651685 0.906667
29 25L 0.646465 0.958904
30 PRX 0.644444 0.87013
31 ABM 0.639535 0.893333
32 3OD 0.636364 0.945946
33 25A 0.635417 0.945205
34 SRA 0.635294 0.87013
35 OAD 0.632653 0.945946
36 A1R 0.628866 0.909091
37 AMP MG 0.627907 0.868421
38 APC 0.626374 0.907895
39 AP2 0.625 0.907895
40 A12 0.625 0.907895
41 TAT 0.623656 0.907895
42 5AL 0.617021 0.932432
43 GKE 0.61165 0.910256
44 GDD 0.61165 0.910256
45 GDC 0.61165 0.910256
46 00A 0.606061 0.909091
47 AU1 0.604396 0.92
48 ADP MG 0.604396 0.881579
49 SRP 0.604167 0.933333
50 139 0.603604 0.898734
51 ADV 0.602151 0.933333
52 RBY 0.602151 0.933333
53 OOB 0.602041 0.958904
54 3UK 0.6 0.945946
55 ADP BEF 0.597826 0.858974
56 BEF ADP 0.597826 0.858974
57 4AD 0.59596 0.921053
58 BIS 0.588235 0.884615
59 5SV 0.585859 0.82716
60 8QN 0.585859 0.932432
61 ADP PO3 0.585106 0.917808
62 G3A 0.584906 0.897436
63 A2R 0.581633 0.958904
64 PAJ 0.58 0.910256
65 AMO 0.58 0.933333
66 G5P 0.579439 0.897436
67 ATP MG 0.578947 0.881579
68 ADN 0.575 0.847222
69 XYA 0.575 0.847222
70 RAB 0.575 0.847222
71 DLL 0.574257 0.958904
72 AHX 0.574257 0.897436
73 GTA 0.574074 0.864198
74 ME8 0.572816 0.841463
75 PTJ 0.572816 0.873418
76 UP5 0.572727 0.921053
77 PAP 0.568421 0.931507
78 ATR 0.568421 0.917808
79 PR8 0.563107 0.875
80 LAD 0.563107 0.886076
81 WAQ 0.563107 0.884615
82 UPA 0.5625 0.934211
83 9SN 0.561905 0.897436
84 ALF ADP 0.561224 0.848101
85 ADP ALF 0.561224 0.848101
86 MAP 0.56 0.896104
87 SON 0.55914 0.907895
88 6V0 0.558559 0.897436
89 TXD 0.558559 0.909091
90 TXA 0.557692 0.933333
91 1ZZ 0.557692 0.841463
92 FYA 0.557692 0.906667
93 NB8 0.557692 0.897436
94 A4P 0.557522 0.845238
95 GAP 0.556701 0.92
96 YAP 0.556604 0.921053
97 VO4 ADP 0.555556 0.906667
98 ANP MG 0.555556 0.871795
99 ADP VO4 0.555556 0.906667
100 OMR 0.553571 0.853659
101 ITT 0.553191 0.891892
102 48N 0.54955 0.897436
103 AP0 0.548673 0.897436
104 4TC 0.548673 0.897436
105 4UV 0.546296 0.921053
106 NAX 0.544643 0.875
107 NXX 0.544643 0.959459
108 NAI 0.544643 0.909091
109 DND 0.544643 0.959459
110 FA5 0.542056 0.933333
111 2A5 0.541667 0.894737
112 LAQ 0.540541 0.841463
113 TXE 0.539823 0.909091
114 AOC 0.538462 0.8
115 A3P 0.537634 0.917808
116 XAH 0.537037 0.841463
117 7D4 0.536842 0.881579
118 AR6 AR6 0.536364 0.945205
119 T5A 0.534483 0.843373
120 A A 0.533333 0.918919
121 5AS 0.531915 0.781609
122 DAL AMP 0.529412 0.906667
123 ATP A A A 0.527778 0.931507
124 7D3 0.526882 0.881579
125 V3L 0.525253 0.945205
126 NA7 0.52381 0.907895
127 4UU 0.522523 0.921053
128 3AM 0.522222 0.90411
129 ADJ 0.521368 0.876543
130 A2P 0.521277 0.90411
131 COD 0.521008 0.813953
132 PPS 0.52 0.829268
133 4UW 0.517544 0.886076
134 CNA 0.516949 0.933333
135 G5A 0.515152 0.781609
136 YLP 0.508772 0.843373
137 5N5 0.505882 0.821918
138 6AD 0.504951 0.8625
139 EAD 0.503937 0.875
140 TYM 0.5 0.933333
141 7D5 0.5 0.855263
142 JB6 0.5 0.884615
143 5CD 0.5 0.783784
144 A4D 0.5 0.821918
145 NAD 0.495868 0.932432
146 YLA 0.495798 0.843373
147 YLB 0.495726 0.843373
148 YLC 0.495726 0.864198
149 TYR AMP 0.495495 0.907895
150 MYR AMP 0.495413 0.819277
151 2AM 0.494505 0.917808
152 MTA 0.488889 0.753247
153 P1H 0.48855 0.853659
154 M24 0.488 0.875
155 A3D 0.487805 0.92
156 NJP 0.487603 0.921053
157 IOT 0.487395 0.833333
158 TSB 0.485714 0.8
159 A5A 0.485437 0.788235
160 IMO 0.484211 0.878378
161 ZAS 0.483871 0.746835
162 EP4 0.483146 0.734177
163 LPA AMP 0.482759 0.819277
164 SSA 0.480769 0.802326
165 3AT 0.480392 0.918919
166 AYB 0.479339 0.833333
167 6RE 0.478723 0.740741
168 OVE 0.478723 0.881579
169 3DH 0.478261 0.753247
170 TAD 0.478261 0.8625
171 GFB 0.477876 0.886076
172 GDR 0.477876 0.886076
173 AMP DBH 0.477876 0.92
174 DTA 0.477778 0.789474
175 M2T 0.477778 0.716049
176 NSS 0.476636 0.781609
177 LSS 0.476636 0.744444
178 PUA 0.47619 0.8625
179 VMS 0.47619 0.770115
180 52H 0.47619 0.761364
181 54H 0.47619 0.770115
182 YLY 0.47619 0.833333
183 AHZ 0.474138 0.819277
184 ARG AMP 0.474138 0.831325
185 6CK 0.473684 0.864198
186 RGT 0.473214 0.933333
187 NAE 0.472441 0.896104
188 5CA 0.471698 0.802326
189 53H 0.471698 0.761364
190 G A A A 0.471545 0.873418
191 BTX 0.471545 0.8
192 0WD 0.471545 0.897436
193 62F 0.471429 0.8875
194 AV2 0.471154 0.868421
195 FB0 0.470149 0.786517
196 7MD 0.469565 0.8875
197 NAQ 0.46875 0.873418
198 A3N 0.46875 0.789474
199 BT5 0.467742 0.811765
200 C5G 0.46729 0.833333
201 AVV 0.46729 0.873418
202 TXP 0.467213 0.897436
203 DTP 0.466019 0.857143
204 7DT 0.465347 0.931507
205 ZID 0.465116 0.92
206 7DD 0.464646 0.931507
207 P5A 0.463636 0.747253
208 ODP 0.463415 0.886076
209 DSZ 0.462963 0.802326
210 LA8 ALF 3PG 0.462185 0.839506
211 ALF ADP 3PG 0.462185 0.839506
212 AF3 ADP 3PG 0.462185 0.839506
213 GDX 0.461538 0.897436
214 NAJ PZO 0.460317 0.85
215 NDP 0.459016 0.897436
216 NPW 0.459016 0.864198
217 NVA LMS 0.458716 0.744444
218 ARU 0.458716 0.817073
219 YSA 0.45614 0.781609
220 DZD 0.456 0.886076
221 5X8 0.455446 0.766234
222 DAT 0.455446 0.857143
223 NZQ 0.455285 0.886076
224 NDE 0.455224 0.907895
225 LEU LMS 0.454545 0.744444
226 J7C 0.453608 0.75
227 V1N 0.452174 0.945205
228 KAA 0.45045 0.755556
229 GSU 0.45045 0.781609
230 6FA 0.449275 0.843373
231 S4M 0.44898 0.670455
232 GJV 0.44898 0.731707
233 NDC 0.448529 0.873418
234 4TA 0.448 0.809524
235 7MC 0.446281 0.865854
236 MAO 0.444444 0.741176
237 71V 0.444444 0.860759
238 U A G G 0.444444 0.860759
239 GDU 0.443396 0.828947
240 UFM 0.443396 0.828947
241 UPG 0.443396 0.828947
242 GUD 0.443396 0.828947
243 DSH 0.443299 0.728395
244 SFD 0.442857 0.736842
245 FAD 0.442857 0.853659
246 FAS 0.442857 0.853659
247 N0B 0.442748 0.865854
248 A U 0.442623 0.896104
249 JB3 0.442623 0.875
250 APU 0.442623 0.896104
251 FDA 0.442029 0.813953
252 PO4 PO4 A A A A PO4 0.441441 0.90411
253 GKD 0.440678 0.910256
254 JB2 0.440678 0.886076
255 NAD IBO 0.44 0.871795
256 DDS 0.438095 0.831169
257 XNP 0.436508 0.851852
258 RFL 0.434483 0.823529
259 ETB 0.434109 0.813953
260 DCA 0.434109 0.804598
261 PGS 0.431373 0.8375
262 FNK 0.430556 0.786517
263 6C6 0.428571 0.835443
264 A A A 0.428571 0.881579
265 DAU 0.428571 0.746988
266 TAP 0.428571 0.884615
267 4YB 0.428571 0.784091
268 SAH 0.428571 0.746835
269 Z5A 0.428571 0.781609
270 A3G 0.428571 0.802632
271 FAY 0.427586 0.864198
272 0T1 0.427481 0.804598
273 COA 0.427481 0.804598
274 SFG 0.427184 0.753247
275 5AD 0.425287 0.726027
276 6IA 0.424528 0.817073
277 NAJ PYZ 0.424242 0.851852
278 7C5 0.423729 0.820513
279 2GW 0.422414 0.820513
280 ACO 0.422222 0.777778
281 A3S 0.421569 0.813333
282 A7D 0.421569 0.779221
283 NAP 0.421053 0.92
284 7D7 0.420455 0.746667
285 CO6 0.42029 0.786517
286 N6P 0.419643 0.890411
287 A5D 0.419048 0.789474
288 SA8 0.419048 0.710843
289 GSP 0.418182 0.829268
290 GGZ 0.418182 0.804878
291 128 0.418033 0.77907
292 DG1 0.41791 0.897436
293 1DG 0.41791 0.897436
294 CAO 0.41791 0.777778
295 30N 0.41791 0.736842
296 AMX 0.41791 0.813953
297 COS 0.41791 0.786517
298 MHZ 0.417476 0.701149
299 2MC 0.417266 0.752688
300 2SA 0.416667 0.907895
301 3KK 0.416058 0.786517
302 1GZ 0.415493 0.777778
303 U G A 0.415493 0.841463
304 GP3 0.415094 0.897436
305 SAI 0.415094 0.7375
306 NA0 0.414815 0.907895
307 SCO 0.414815 0.825581
308 CMX 0.414815 0.825581
309 WSA 0.414634 0.790698
310 GEK 0.414414 0.740741
311 1HE 0.414286 0.769231
312 DA 0.414141 0.831169
313 NEC 0.414141 0.75
314 D5M 0.414141 0.831169
315 GPD 0.413223 0.853659
316 OXK 0.413043 0.806818
317 GTP 0.412844 0.871795
318 SMM 0.412844 0.689655
319 FAM 0.411765 0.786517
320 FCX 0.411765 0.797753
321 MCA 0.411348 0.797753
322 SAM 0.411215 0.694118
323 GDP 0.411215 0.871795
324 AMP NAD 0.410448 0.907895
325 1VU 0.410072 0.777778
326 AAM 0.41 0.917808
327 G1R 0.409091 0.884615
328 HAX 0.408759 0.786517
329 GNH 0.407407 0.860759
330 AAT 0.407407 0.710843
331 EEM 0.407407 0.694118
332 Y3J 0.406593 0.706667
333 AMZ 0.40625 0.866667
334 C2R 0.40625 0.88
335 FYN 0.405797 0.804598
336 JBT 0.405714 0.757895
337 IRC 0.405594 0.795455
338 BCO 0.404255 0.786517
339 3HC 0.404255 0.795455
340 MLC 0.404255 0.806818
341 IVC 0.404255 0.795455
342 101 0.40404 0.855263
343 A6D 0.403509 0.72619
344 649 0.403226 0.747253
345 CA6 0.402878 0.714286
346 MCD 0.402878 0.806818
347 SOP 0.402878 0.786517
348 COK 0.402878 0.786517
349 BCA 0.402778 0.797753
350 4CA 0.402778 0.797753
351 F2N 0.402597 0.795455
352 6K6 0.401786 0.905405
353 12D 0.401639 0.788235
354 COO 0.401408 0.786517
355 CAA 0.401408 0.795455
356 A3T 0.4 0.824324
357 NMX 0.4 0.744681
358 CMC 0.4 0.806818
359 S7M 0.4 0.694118
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YP4; Ligand: ADP; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1YP4; Ligand: ADP; Similar sites found: 60
This union binding pocket(no: 2) in the query (biounit: 1yp4.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2C5S AMP 0.01357 0.40777 1.69492
2 2J0B UDP 0.01365 0.40023 2.14286
3 5BSH PRO 0.0173 0.40336 2.16606
4 5FJN BE2 0.02422 0.40878 2.21729
5 5FJN FAD 0.02359 0.40684 2.21729
6 3QDK QDK 0.02161 0.40661 2.21729
7 4PTN GXV 0.02516 0.40157 2.33236
8 3LL5 IP8 0.01767 0.40855 2.40964
9 1NF8 BOG 0.008997 0.42872 2.41546
10 2Z48 NGA 0.004543 0.43945 2.5463
11 2Z48 A2G 0.02159 0.40244 2.5463
12 3ZF8 GDP 0.0002946 0.48337 2.62295
13 4WCX MET 0.00607 0.42968 2.66075
14 1Q8O MAN MMA 0.01175 0.41609 2.66075
15 2PHT MAN MAN MAN 0.01632 0.40883 2.66075
16 1JJE BYS 0.00454 0.41379 2.7027
17 2OG2 MLI 0.001514 0.4515 2.78552
18 3G5D 1N1 0.04374 0.4005 2.7972
19 1JBW ACQ 0.01289 0.40816 2.80374
20 1GPM AMP 0.01483 0.41203 3.04762
21 4FK7 P34 0.00743 0.43846 3.05677
22 3W6X HZP 0.005311 0.44074 3.49345
23 1JV1 UD1 0.0001942 0.40307 3.56436
24 4WOE 3S5 0.004238 0.43982 3.7694
25 2VEG PMM 0.0145 0.40635 3.82166
26 1JYL CDC 0.001016 0.41919 3.93701
27 2VAR AMP 0.007168 0.41691 4.15335
28 3C0G 3AM 0.003822 0.42543 4.5584
29 1FRW GTP 0.0005421 0.45485 4.63918
30 1HV9 UD1 0.0001594 0.45742 4.65632
31 4FFG 0U8 0.004364 0.43347 4.87805
32 1NFQ NAI 0.01638 0.40448 5
33 2BO4 FLC 0.0001506 0.43279 5.28967
34 3B9Q MLI 0.002854 0.45122 5.29801
35 4BV6 FAD 0.02213 0.40731 5.32151
36 3AD8 NAD 0.01274 0.41184 5.41872
37 2OEG UPG 0.0004567 0.41829 5.54324
38 2WOX NDP 0.02003 0.40258 5.54324
39 2WEL K88 0.008987 0.42222 6
40 1FWY UD1 0.0001362 0.45999 6.34441
41 2APC UDM 0.001283 0.43804 6.72515
42 3WXL ADP 0.01119 0.42159 6.87361
43 4TWP AXI 0.008849 0.42743 7.01107
44 1RYD GLC 0.00352 0.445 7.23514
45 1CZA GLC 0.01004 0.41423 7.31707
46 3MJY IJZ 0.01235 0.41021 7.51445
47 2CHT TSA 0.01709 0.40716 7.87402
48 4F0E 0RU 0.006881 0.41961 8
49 2PA4 UPG 0.0003601 0.40167 8.04954
50 4G87 UD1 0.00001395 0.43794 9.97783
51 1C1X HFA 0.01271 0.40097 10.4225
52 3P13 RIP 0.005315 0.42699 11.8056
53 1C3X 8IG 0.01067 0.41364 12.0301
54 2YQS UD1 0.0001206 0.42348 12.4169
55 3ESS 18N 0.02502 0.4005 12.6087
56 3LQV ADE 0.01492 0.41145 12.8205
57 1VBO MAN MAN MAN 0.006096 0.42478 13.4228
58 2YC5 6BC 0.04856 0.40967 14.4737
59 1WVC CTP 0.0004891 0.41436 26.6409
60 1M2Z BOG 0.01552 0.41288 38.0952
Pocket No.: 3; Query (leader) PDB : 1YP4; Ligand: ADQ; Similar sites found: 37
This union binding pocket(no: 3) in the query (biounit: 1yp4.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3B9Z CO2 0.02204 0.40919 2.06186
2 3OH3 UAD 0.000002629 0.52783 2.21729
3 2ICY UPG 0.00009262 0.47496 2.21729
4 3LL5 IP8 0.01849 0.42088 2.40964
5 1U1J MET 0.007127 0.4429 2.43902
6 1I52 CTP 0.0003075 0.42588 2.54237
7 3ZF8 GDP 0.013 0.41604 2.62295
8 1JI0 ATP 0.03451 0.40239 2.91667
9 1JV1 UD1 0.0000002315 0.53596 3.56436
10 3CKJ CIT 0.00339 0.40071 3.64742
11 1JYL CDC 0.0004869 0.45318 3.93701
12 1FRW GTP 0.01105 0.40809 4.63918
13 1HV9 UD1 0.00002218 0.51562 4.65632
14 1GXS DKA 0.03393 0.40501 5.18518
15 2OEG UPG 0.0001323 0.46861 5.54324
16 3LLZ GAL NGA 0.02666 0.40638 6.01504
17 3RKR NAP 0.02668 0.40039 6.10687
18 1H7F C5P 0.01216 0.40275 6.12245
19 1FWY UD1 0.00005909 0.49713 6.34441
20 4JD0 1KH 0.009742 0.43176 6.3745
21 4Y7U 2KH 0.0001199 0.45104 6.65188
22 4Y7U 491 0.009615 0.43235 6.65188
23 2ZFZ ARG 0.03905 0.40693 7.59494
24 2PA4 UPG 0.000005964 0.48866 8.04954
25 2X65 M1P 0.00000001331 0.49511 9.52381
26 4G87 UD1 0.0000002098 0.54035 9.97783
27 4GK9 MAN BMA MAN MAN MAN 0.03474 0.41206 11.1111
28 3JUK UPG 0.000008954 0.5001 12.0996
29 2YQS UD1 0.0000008703 0.53845 12.4169
30 5J6Y GLC 0.02608 0.40356 20.7447
31 5J6Y BGC 0.02608 0.40356 20.7447
32 1H5R G1P 0.00001174 0.5597 23.8908
33 1H5T DAU 0.000000934 0.52982 23.8908
34 1IIM TTP 0.0000004327 0.48277 24.3151
35 1WVC CTP 0.0001033 0.46886 26.6409
36 4KQL 1SG 0.00009297 0.41364 36.5854
37 1M2Z BOG 0.02286 0.41241 38.0952
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