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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
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
Ligand no: 2; Ligand: ADQ; Similar ligands found: 376
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 HEJ 0.729412 0.945205
11 AN2 0.72619 0.932432
12 AR6 0.72093 0.972222
13 AQP 0.72093 0.945205
14 APR 0.72093 0.972222
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 CA0 0.659091 0.945946
28 ADX 0.659091 0.851852
29 AFH 0.656863 0.935065
30 6YZ 0.655914 0.92
31 50T 0.651685 0.906667
32 25L 0.646465 0.958904
33 PRX 0.644444 0.87013
34 ABM 0.639535 0.893333
35 3OD 0.636364 0.945946
36 25A 0.635417 0.945205
37 SRA 0.635294 0.87013
38 OAD 0.632653 0.945946
39 9X8 0.632653 0.921053
40 A3R 0.628866 0.909091
41 A1R 0.628866 0.909091
42 APC 0.626374 0.907895
43 A12 0.625 0.907895
44 AP2 0.625 0.907895
45 TAT 0.623656 0.907895
46 T99 0.623656 0.907895
47 5AL 0.617021 0.932432
48 GKE 0.61165 0.910256
49 GDC 0.61165 0.910256
50 GDD 0.61165 0.910256
51 00A 0.606061 0.909091
52 AU1 0.604396 0.92
53 SRP 0.604167 0.933333
54 139 0.603604 0.898734
55 ADV 0.602151 0.933333
56 RBY 0.602151 0.933333
57 OOB 0.602041 0.958904
58 3UK 0.6 0.945946
59 4AD 0.59596 0.921053
60 BIS 0.588235 0.884615
61 8QN 0.585859 0.932432
62 5SV 0.585859 0.82716
63 ADP PO3 0.585106 0.917808
64 G3A 0.584906 0.897436
65 A2R 0.581633 0.958904
66 PAJ 0.58 0.910256
67 AMO 0.58 0.933333
68 G5P 0.579439 0.897436
69 ADN 0.575 0.847222
70 XYA 0.575 0.847222
71 RAB 0.575 0.847222
72 DLL 0.574257 0.958904
73 AHX 0.574257 0.897436
74 GTA 0.574074 0.864198
75 PTJ 0.572816 0.873418
76 ME8 0.572816 0.841463
77 UP5 0.572727 0.921053
78 PAP 0.568421 0.931507
79 ATR 0.568421 0.917808
80 PR8 0.563107 0.875
81 LAD 0.563107 0.886076
82 WAQ 0.563107 0.884615
83 B5V 0.563107 0.933333
84 UPA 0.5625 0.934211
85 9SN 0.561905 0.897436
86 ALF ADP 0.561224 0.848101
87 ADP ALF 0.561224 0.848101
88 MAP 0.56 0.896104
89 DQV 0.559633 0.958904
90 SON 0.55914 0.907895
91 TXD 0.558559 0.909091
92 6V0 0.558559 0.897436
93 TXA 0.557692 0.933333
94 NB8 0.557692 0.897436
95 1ZZ 0.557692 0.841463
96 FYA 0.557692 0.906667
97 A4P 0.557522 0.845238
98 GAP 0.556701 0.92
99 YAP 0.556604 0.921053
100 B5Y 0.556604 0.921053
101 VO4 ADP 0.555556 0.906667
102 ADP VO4 0.555556 0.906667
103 OMR 0.553571 0.853659
104 ITT 0.553191 0.891892
105 LMS 0.550562 0.807229
106 48N 0.54955 0.897436
107 4TC 0.548673 0.897436
108 AP0 0.548673 0.897436
109 4UV 0.546296 0.921053
110 NAX 0.544643 0.875
111 NXX 0.544643 0.959459
112 DND 0.544643 0.959459
113 NAI 0.544643 0.909091
114 DAL AMP 0.544554 0.906667
115 FA5 0.542056 0.933333
116 B5M 0.542056 0.921053
117 2A5 0.541667 0.894737
118 LAQ 0.540541 0.841463
119 TXE 0.539823 0.909091
120 9ZD 0.539216 0.884615
121 9ZA 0.539216 0.884615
122 AOC 0.538462 0.8
123 80F 0.537815 0.865854
124 A3P 0.537634 0.917808
125 XAH 0.537037 0.841463
126 7D4 0.536842 0.881579
127 GA7 0.536364 0.933333
128 AR6 AR6 0.536364 0.945205
129 T5A 0.534483 0.843373
130 A A 0.533333 0.918919
131 5AS 0.531915 0.781609
132 ATP A A A 0.527778 0.931507
133 7D3 0.526882 0.881579
134 V3L 0.525253 0.945205
135 NA7 0.52381 0.907895
136 4UU 0.522523 0.921053
137 3AM 0.522222 0.90411
138 ADJ 0.521368 0.876543
139 A2P 0.521277 0.90411
140 COD 0.521008 0.813953
141 PPS 0.52 0.829268
142 4UW 0.517544 0.886076
143 CNA 0.516949 0.933333
144 HFD 0.515152 0.896104
145 G5A 0.515152 0.781609
146 F2R 0.512605 0.865854
147 YLP 0.508772 0.843373
148 5N5 0.505882 0.821918
149 6AD 0.504951 0.8625
150 TYR AMP 0.504505 0.896104
151 EAD 0.503937 0.875
152 A4D 0.5 0.821918
153 7D5 0.5 0.855263
154 5CD 0.5 0.783784
155 TYM 0.5 0.933333
156 JB6 0.5 0.884615
157 NAD 0.495868 0.932432
158 YLA 0.495798 0.843373
159 YLB 0.495726 0.843373
160 YLC 0.495726 0.864198
161 ARG AMP 0.495575 0.831325
162 MYR AMP 0.495413 0.819277
163 2AM 0.494505 0.917808
164 MTA 0.488889 0.753247
165 P1H 0.48855 0.853659
166 M24 0.488 0.875
167 A3D 0.487805 0.92
168 NJP 0.487603 0.921053
169 IOT 0.487395 0.833333
170 TSB 0.485714 0.8
171 A5A 0.485437 0.788235
172 IMO 0.484211 0.878378
173 ZAS 0.483871 0.746835
174 EP4 0.483146 0.734177
175 LPA AMP 0.482759 0.819277
176 SSA 0.480769 0.802326
177 3AT 0.480392 0.918919
178 AYB 0.479339 0.833333
179 OVE 0.478723 0.881579
180 6RE 0.478723 0.740741
181 3DH 0.478261 0.753247
182 TAD 0.478261 0.8625
183 AMP DBH 0.477876 0.92
184 GDR 0.477876 0.886076
185 GFB 0.477876 0.886076
186 DTA 0.477778 0.789474
187 M2T 0.477778 0.716049
188 LSS 0.476636 0.744444
189 NSS 0.476636 0.781609
190 YLY 0.47619 0.833333
191 PUA 0.47619 0.8625
192 VMS 0.47619 0.770115
193 52H 0.47619 0.761364
194 54H 0.47619 0.770115
195 AHZ 0.474138 0.819277
196 6CK 0.473684 0.864198
197 RGT 0.473214 0.933333
198 NAE 0.472441 0.896104
199 NVA LMS 0.472222 0.736264
200 53H 0.471698 0.761364
201 8X1 0.471698 0.755556
202 5CA 0.471698 0.802326
203 BTX 0.471545 0.8
204 0WD 0.471545 0.897436
205 G A A A 0.471545 0.873418
206 62F 0.471429 0.8875
207 AV2 0.471154 0.868421
208 FB0 0.470149 0.786517
209 7MD 0.469565 0.8875
210 NAQ 0.46875 0.873418
211 A3N 0.46875 0.789474
212 LEU LMS 0.46789 0.736264
213 BT5 0.467742 0.811765
214 C5G 0.46729 0.833333
215 AVV 0.46729 0.873418
216 TXP 0.467213 0.897436
217 DTP 0.466019 0.857143
218 7DT 0.465347 0.931507
219 ZID 0.465116 0.92
220 7DD 0.464646 0.931507
221 P5A 0.463636 0.747253
222 ODP 0.463415 0.886076
223 DSZ 0.462963 0.802326
224 AF3 ADP 3PG 0.462185 0.839506
225 GDX 0.461538 0.897436
226 U A 0.460317 0.884615
227 NAJ PZO 0.460317 0.85
228 NPW 0.459016 0.864198
229 NDP 0.459016 0.897436
230 ARU 0.458716 0.817073
231 YSA 0.45614 0.781609
232 DZD 0.456 0.886076
233 DAT 0.455446 0.857143
234 5X8 0.455446 0.766234
235 NZQ 0.455285 0.886076
236 NDE 0.455224 0.907895
237 J7C 0.453608 0.75
238 V1N 0.452174 0.945205
239 KAA 0.45045 0.755556
240 GSU 0.45045 0.781609
241 6FA 0.449275 0.843373
242 S4M 0.44898 0.670455
243 GJV 0.44898 0.731707
244 NDC 0.448529 0.873418
245 4TA 0.448 0.809524
246 A G 0.448 0.860759
247 9K8 0.446429 0.736264
248 7MC 0.446281 0.865854
249 NAJ PYZ 0.446154 0.809524
250 MAO 0.444444 0.741176
251 U A G G 0.444444 0.860759
252 71V 0.444444 0.860759
253 GUD 0.443396 0.828947
254 UPG 0.443396 0.828947
255 GDU 0.443396 0.828947
256 UFM 0.443396 0.828947
257 DSH 0.443299 0.728395
258 SFD 0.442857 0.736842
259 FAS 0.442857 0.853659
260 FAD 0.442857 0.853659
261 N0B 0.442748 0.865854
262 APU 0.442623 0.896104
263 A U 0.442623 0.896104
264 JB3 0.442623 0.875
265 FDA 0.442029 0.813953
266 PO4 PO4 A A A A PO4 0.441441 0.90411
267 GKD 0.440678 0.910256
268 JB2 0.440678 0.886076
269 DDS 0.438095 0.831169
270 XNP 0.436508 0.851852
271 AMP NAD 0.436508 0.932432
272 8PZ 0.434783 0.802326
273 RFL 0.434483 0.823529
274 ETB 0.434109 0.813953
275 DCA 0.434109 0.804598
276 PGS 0.431373 0.8375
277 FNK 0.430556 0.786517
278 4YB 0.428571 0.784091
279 A A A 0.428571 0.881579
280 TAP 0.428571 0.884615
281 SAH 0.428571 0.746835
282 6C6 0.428571 0.835443
283 A3G 0.428571 0.802632
284 DAU 0.428571 0.746988
285 Z5A 0.428571 0.781609
286 FAY 0.427586 0.864198
287 0T1 0.427481 0.804598
288 COA 0.427481 0.804598
289 SFG 0.427184 0.753247
290 5AD 0.425287 0.726027
291 6IA 0.424528 0.817073
292 7C5 0.423729 0.820513
293 9JJ 0.422819 0.864198
294 2GW 0.422414 0.820513
295 ACO 0.422222 0.777778
296 A7D 0.421569 0.779221
297 A3S 0.421569 0.813333
298 NAP 0.421053 0.92
299 7D7 0.420455 0.746667
300 CO6 0.42029 0.786517
301 N6P 0.419643 0.890411
302 SA8 0.419048 0.710843
303 A5D 0.419048 0.789474
304 GGZ 0.418182 0.804878
305 GSP 0.418182 0.829268
306 128 0.418033 0.77907
307 DG1 0.41791 0.897436
308 COS 0.41791 0.786517
309 AMX 0.41791 0.813953
310 1DG 0.41791 0.897436
311 CAO 0.41791 0.777778
312 30N 0.41791 0.736842
313 MHZ 0.417476 0.701149
314 2MC 0.417266 0.752688
315 2SA 0.416667 0.907895
316 3KK 0.416058 0.786517
317 1GZ 0.415493 0.777778
318 SAI 0.415094 0.7375
319 GP3 0.415094 0.897436
320 7L1 0.414815 0.777778
321 CMX 0.414815 0.825581
322 SCO 0.414815 0.825581
323 NA0 0.414815 0.907895
324 WSA 0.414634 0.790698
325 GEK 0.414414 0.740741
326 1HE 0.414286 0.769231
327 DA 0.414141 0.831169
328 D5M 0.414141 0.831169
329 NEC 0.414141 0.75
330 GPD 0.413223 0.853659
331 OXK 0.413043 0.806818
332 GTP 0.412844 0.871795
333 SMM 0.412844 0.689655
334 FAM 0.411765 0.786517
335 FCX 0.411765 0.797753
336 MCA 0.411348 0.797753
337 8Q2 0.41129 0.775281
338 SAM 0.411215 0.694118
339 GDP 0.411215 0.871795
340 1VU 0.410072 0.777778
341 AAM 0.41 0.917808
342 G1R 0.409091 0.884615
343 HAX 0.408759 0.786517
344 EEM 0.407407 0.694118
345 AAT 0.407407 0.710843
346 GNH 0.407407 0.860759
347 Y3J 0.406593 0.706667
348 AMZ 0.40625 0.866667
349 C2R 0.40625 0.88
350 FYN 0.405797 0.804598
351 JBT 0.405714 0.757895
352 NVA 2AD 0.40566 0.7625
353 IRC 0.405594 0.795455
354 MLC 0.404255 0.806818
355 BCO 0.404255 0.786517
356 IVC 0.404255 0.795455
357 3HC 0.404255 0.795455
358 101 0.40404 0.855263
359 HDV 0.40367 0.846154
360 A6D 0.403509 0.72619
361 649 0.403226 0.747253
362 COK 0.402878 0.786517
363 SOP 0.402878 0.786517
364 CA6 0.402878 0.714286
365 MCD 0.402878 0.806818
366 4CA 0.402778 0.797753
367 BCA 0.402778 0.797753
368 F2N 0.402597 0.795455
369 6K6 0.401786 0.905405
370 12D 0.401639 0.788235
371 CAA 0.401408 0.795455
372 COO 0.401408 0.786517
373 S7M 0.4 0.694118
374 A3T 0.4 0.824324
375 CMC 0.4 0.806818
376 NMX 0.4 0.744681
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: 157
This union binding pocket(no: 1) in the query (biounit: 1yp4.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1HBK MYR None
2 4M52 FAD 1.33038
3 1KOR SIN 1.5
4 3AXB PRO 1.5625
5 3AXB FAD 1.5625
6 5LY1 PPI 1.5748
7 6F5W KG1 1.62602
8 5TTJ FAD 1.77384
9 5BJX NAD 1.91257
10 5XFI NAG NAG BMA MAN MAN NAG GAL NAG 1.96078
11 4GJ3 0XP 1.98676
12 6F7L FAD 1.99557
13 5TQZ GLC 2
14 3GF4 FAD 2.05128
15 3B9Z CO2 2.06186
16 1NJR XYL 2.11268
17 2J0B UDP 2.14286
18 5BSH PRO 2.16606
19 2ICY UPG 2.21729
20 5FJN BE2 2.21729
21 5FJN FAD 2.21729
22 3OH3 UAD 2.21729
23 2IID FAD 2.21729
24 2IID PHE 2.21729
25 2VVL FAD 2.21729
26 2BDG PBZ 2.24215
27 4PTN GXV 2.33236
28 2YBQ UP2 2.39726
29 2YBQ SAH 2.39726
30 1NF8 BOG 2.41546
31 1U1J MET 2.43902
32 1YY5 FAD 2.43902
33 1RSG FAD 2.43902
34 4JDR FAD 2.43902
35 5UY8 AMZ 2.43902
36 1I52 CTP 2.54237
37 2Z48 NGA 2.5463
38 4CNK FAD 2.55754
39 6GAR FAD 2.5788
40 3ZF8 GDP 2.62295
41 4JNA FAD 2.64706
42 4WCX MET 2.66075
43 1Q8O MAN MMA 2.66075
44 2PHT MAN MAN MAN 2.66075
45 2PHU MAN MAN 2.66075
46 3U2U UDP 2.6616
47 5XVG 8FX 2.73038
48 3THR C2F 2.73038
49 2OG2 MLI 2.78552
50 3G5D 1N1 2.7972
51 1BZL FAD 2.88248
52 1RJW ETF 2.94985
53 4MOB COA 3.01205
54 6GAS FAD 3.02115
55 1GPM AMP 3.04762
56 4FK7 P34 3.05677
57 1W55 C 3.10421
58 2GMH FAD 3.10421
59 1KGI T4A 3.14961
60 3LZW NAP 3.31325
61 2BRY FAD 3.54767
62 1JV1 UD1 3.56436
63 4NTC FAD 3.58209
64 3AB1 FAD 3.61111
65 4C5N ACP 3.62319
66 3KLJ FAD 3.63636
67 3CKJ CIT 3.64742
68 1YQZ FAD 3.65297
69 5MM0 GDD 3.74332
70 4WOE 3S5 3.7694
71 2VEG PMM 3.82166
72 5VCM UDP 4.05728
73 3BNK FMN 4.08163
74 2VAR AMP 4.15335
75 2VAR ANP 4.15335
76 4C1K PEP 4.19847
77 3KV8 FAH 4.31655
78 5BRT FAD 4.43459
79 1M3U KPL 4.54545
80 3C0G 3AM 4.5584
81 1FRW GTP 4.63918
82 1HV9 UD1 4.65632
83 1VMK GUN 4.69314
84 5XDT MB3 4.87013
85 4FFG 0U8 4.87805
86 5ZTN CUR 4.8951
87 5O2Z FLC 5.04202
88 1YKJ PHB 5.07614
89 1YKJ FAD 5.07614
90 2NUN ADP 5.26316
91 2BO4 FLC 5.28967
92 3B9Q MLI 5.29801
93 5AHO TLA 5.32151
94 3GD4 NAD 5.32151
95 3GD4 FAD 5.32151
96 4BV6 FAD 5.32151
97 3NBC LAT 5.40541
98 2OEG UPG 5.54324
99 2WME NAP 5.54324
100 2WOX NDP 5.54324
101 2HMT NAI 5.55556
102 5LXT GTP 5.59441
103 2CB8 MYA 5.74713
104 5LX6 78P 5.75916
105 6FA4 D1W 5.78035
106 2PHN GDP 5.90551
107 5YSI NCA 5.92105
108 2VZZ SCA 5.9633
109 2WEL K88 6
110 2GAG NAD 6.06061
111 5YB7 ORN 6.20843
112 5YB7 FAD 6.20843
113 1FWY UD1 6.34441
114 4Y7U 2KH 6.65188
115 2W5P CL8 6.71141
116 2APC UDM 6.72515
117 4TWP AXI 7.01107
118 4IF4 BEF 7.21154
119 1RYD GLC 7.23514
120 6EK3 OUL 7.23982
121 1CZA GLC 7.31707
122 4QAC KK3 7.37327
123 5KJW 53C 7.49415
124 1VDC FAD 7.50751
125 5J5Z FAD 7.5388
126 2CHT TSA 7.87402
127 3A3B FMN 7.89474
128 1SBR VIB 8
129 2PA4 UPG 8.04954
130 6ACS CIT 8.52713
131 2Y6O 1N1 8.59107
132 2BNF UTP 9.12863
133 2WSB NAD 9.44882
134 2YY8 MTA 9.95025
135 1V1A ADP 10.356
136 1BW9 PPY 10.3933
137 1C1X HFA 10.4225
138 1C1D PHE 10.4225
139 2CYE COA 11.2782
140 3P13 RIP 11.8056
141 1C3X 8IG 12.0301
142 3JUK UPG 12.0996
143 2YQS UD1 12.4169
144 3ESS 18N 12.6087
145 3LQV ADE 12.8205
146 1VBO MAN MAN MAN 13.4228
147 3CQD ATP 13.9159
148 2YC5 6BC 14.4737
149 1JOC ITP 15.2
150 1LVW TYD 23.7288
151 1H5R THM 23.8908
152 1H5T DAU 23.8908
153 1H5S TMP 23.8908
154 1IIM TTP 24.3151
155 1WVC CTP 26.6409
156 4KQL 1SG 36.5854
157 1M2Z BOG 38.0952
Pocket No.: 2; Query (leader) PDB : 1YP4; Ligand: ADP; Similar sites found with APoc: 44
This union binding pocket(no: 2) in the query (biounit: 1yp4.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1KOR ANP 1.5
2 1KOR ARG 1.5
3 2C5S AMP 1.69492
4 4M3P HCS 2.21675
5 3QDK QDK 2.21729
6 3LL5 IP8 2.40964
7 2YLN CYS 2.4735
8 2Z48 A2G 2.5463
9 5HS2 CTP 2.58621
10 1JJE BYS 2.7027
11 1JBW ACQ 2.80374
12 5OF1 SAL 2.85714
13 1CT9 AMP 2.88248
14 1UTJ ABN 2.89256
15 1QH9 LAC 3.01724
16 5MZI FYK 3.47072
17 5MZI FAD 3.47072
18 3W6X HZP 3.49345
19 2WBP ZZU 3.63128
20 2WBP SIN 3.63128
21 5IJJ I6P 3.64583
22 5HZ9 5M8 3.7037
23 5F7J ADE 3.75
24 6G47 SIA 3.82775
25 5IFK HPA 3.84615
26 2CUL FAD 3.87931
27 5XWV 8H6 4.43459
28 5XWV NDP 4.43459
29 3CGB FAD 4.65632
30 2PEL LBT 4.66102
31 4NBU NAI 4.8
32 3CGD FAD 4.87805
33 5BN3 ADP 5.09978
34 3AD8 NAD 5.41872
35 1JGT CMA 5.76497
36 5IXB LGA 6.48148
37 3WXL ADP 6.87361
38 3MJY IJZ 7.51445
39 3MJY FMN 7.51445
40 3ICT FAD 7.76053
41 4DEC 3PG 9.88372
42 4DEC UDP 9.88372
43 4J56 FAD 12.2807
44 4RJD TFP 13.6364
Pocket No.: 3; Query (leader) PDB : 1YP4; Ligand: ADQ; Similar sites found with APoc: 51
This union binding pocket(no: 3) in the query (biounit: 1yp4.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 5TQZ GLC 2
2 3B9Z CO2 2.06186
3 3OH3 UAD 2.21729
4 2ICY UPG 2.21729
5 3LL5 IP8 2.40964
6 1U1J MET 2.43902
7 1I52 CTP 2.54237
8 5HS2 CTP 2.58621
9 3ZF8 GDP 2.62295
10 1JI0 ATP 2.91667
11 1SZ0 M6P 3.00926
12 3DUV KDO 3.05344
13 1W55 C 3.10421
14 6EGU 43Y 3.54767
15 1JV1 UD1 3.56436
16 3CKJ CIT 3.64742
17 5FPN KYD 3.7694
18 5VCM UDP 4.05728
19 1FRW GTP 4.63918
20 1HV9 UD1 4.65632
21 1GXS DKA 5.18518
22 2OEG UPG 5.54324
23 4R3U 5AD 5.82192
24 3LLZ GAL NGA 6.01504
25 3RKR NAP 6.10687
26 1H7F C5P 6.12245
27 1FWY UD1 6.34441
28 4JD0 1KH 6.3745
29 4Y7U 2KH 6.65188
30 4Y7U 491 6.65188
31 2XWL CTP 6.72646
32 2ZFZ ARG 7.59494
33 2PA4 UPG 8.04954
34 2X65 M1P 9.52381
35 4CQM NAP 9.96169
36 4GK9 MAN BMA MAN MAN MAN 11.1111
37 3JUK UPG 12.0996
38 2YQS UD1 12.4169
39 2YC5 6BC 14.4737
40 5J6Y GLC 20.7447
41 5J6Y BGC 20.7447
42 5Z0A NAG 22.8381
43 1LVW TYD 23.7288
44 1H5R G1P 23.8908
45 1H5T DAU 23.8908
46 1H5S TMP 23.8908
47 1H5R THM 23.8908
48 1IIM TTP 24.3151
49 1WVC CTP 26.6409
50 4KQL 1SG 36.5854
51 1M2Z BOG 38.0952
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