Receptor
PDB id Resolution Class Description Source Keywords
1TZD 2.2 Å EC: 2.7.1.127 CRYSTAL STRUCTURE OF THE CATALYTIC CORE OF INOSITOL 1,4,5- TRISPHOSPHATE 3-KINASE RATTUS NORVEGICUS INOSITOL KINASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE CATALYTIC CORE OF INOSITOL 1,4,5-TRISPHOSPHATE 3-KINASE MOL.CELL V. 15 703 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:1;
B:1;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:2;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TZD 2.2 Å EC: 2.7.1.127 CRYSTAL STRUCTURE OF THE CATALYTIC CORE OF INOSITOL 1,4,5- TRISPHOSPHATE 3-KINASE RATTUS NORVEGICUS INOSITOL KINASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE CATALYTIC CORE OF INOSITOL 1,4,5-TRISPHOSPHATE 3-KINASE MOL.CELL V. 15 703 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1TZD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1W2D - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 1W2C - I3P C6 H15 O15 P3 [C@H]1([C@....
3 2AQX - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 1TZD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1W2D - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 1W2C - I3P C6 H15 O15 P3 [C@H]1([C@....
3 2AQX - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 1TZD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 435
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 AQP 0.887324 1
5 5FA 0.887324 1
6 AP5 0.884058 0.971831
7 B4P 0.884058 0.971831
8 BA3 0.869565 0.971831
9 AN2 0.84507 0.985915
10 M33 0.833333 0.958333
11 ACQ 0.826667 0.972222
12 A 0.823529 0.971429
13 AMP 0.823529 0.971429
14 ACP 0.821918 0.972222
15 AR6 0.810811 0.971831
16 APR 0.810811 0.971831
17 ANP 0.802632 0.972222
18 AD9 0.8 0.972222
19 AGS 0.8 0.945946
20 SAP 0.8 0.945946
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 TAT 0.779221 0.958904
24 AMP MG 0.774648 0.891892
25 50T 0.773333 0.958333
26 ABM 0.763889 0.917808
27 APC 0.763158 0.958904
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.958904
30 A22 0.753086 0.985915
31 A12 0.743243 0.958904
32 AP2 0.743243 0.958904
33 ADP MG 0.736842 0.905405
34 SRA 0.736111 0.918919
35 ADQ 0.73494 0.945205
36 25L 0.732558 0.985915
37 ADP BEF 0.727273 0.881579
38 BEF ADP 0.727273 0.881579
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 ADP PO3 0.708861 0.943662
44 PAP 0.708861 0.985714
45 ATR 0.708861 0.971429
46 SRP 0.707317 0.906667
47 7D3 0.706667 0.905405
48 25A 0.702381 0.971831
49 ATP MG 0.7 0.905405
50 OAD 0.697674 0.945205
51 RBY 0.6875 0.932432
52 ADV 0.6875 0.932432
53 00A 0.686047 0.883117
54 5SV 0.682353 0.848101
55 8QN 0.682353 0.931507
56 OOB 0.682353 0.931507
57 3OD 0.681818 0.945205
58 BIS 0.681818 0.933333
59 ADP ALF 0.674699 0.87013
60 ALF ADP 0.674699 0.87013
61 AMO 0.674419 0.932432
62 4AD 0.674419 0.92
63 PAJ 0.674419 0.884615
64 GAP 0.670732 0.893333
65 MAP 0.670588 0.945946
66 DLL 0.666667 0.931507
67 ANP MG 0.666667 0.894737
68 VO4 ADP 0.666667 0.931507
69 AHX 0.666667 0.896104
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LAD 0.651685 0.860759
75 WAQ 0.651685 0.883117
76 PR8 0.651685 0.85
77 ITT 0.65 0.943662
78 7D4 0.65 0.905405
79 G5P 0.648936 0.921053
80 RAB 0.647059 0.84507
81 ADN 0.647059 0.84507
82 XYA 0.647059 0.84507
83 TXA 0.644444 0.932432
84 1ZZ 0.644444 0.839506
85 ME8 0.644444 0.839506
86 NB8 0.644444 0.896104
87 FYA 0.644444 0.905405
88 6AD 0.642857 0.909091
89 ADP BMA 0.640449 0.918919
90 G3A 0.638298 0.921053
91 DAL AMP 0.632184 0.905405
92 AFH 0.631579 0.884615
93 9SN 0.630435 0.871795
94 GTA 0.625 0.886076
95 YAP 0.623656 0.894737
96 FA5 0.623656 0.906667
97 UP5 0.622449 0.92
98 XAH 0.617021 0.839506
99 AV2 0.616279 0.917808
100 AOC 0.615385 0.821918
101 48N 0.612245 0.896104
102 4UV 0.610526 0.894737
103 TXD 0.606061 0.907895
104 DND 0.606061 0.932432
105 NAX 0.606061 0.873418
106 NXX 0.606061 0.932432
107 NAI 0.606061 0.907895
108 6V0 0.606061 0.896104
109 5N5 0.605634 0.819444
110 5AS 0.604938 0.77907
111 A4P 0.60396 0.843373
112 DAT 0.60241 0.905405
113 A2R 0.602273 0.985915
114 TXE 0.6 0.907895
115 OMR 0.6 0.851852
116 4UU 0.597938 0.894737
117 A A 0.597826 0.944444
118 A4D 0.597222 0.819444
119 5CD 0.597222 0.805556
120 AP0 0.594059 0.896104
121 4TC 0.594059 0.896104
122 A3P 0.592593 0.971429
123 139 0.592233 0.873418
124 T5A 0.592233 0.841463
125 7D5 0.592105 0.878378
126 ATP A A A 0.589474 0.930556
127 LAQ 0.585859 0.839506
128 MYR AMP 0.585106 0.817073
129 YLP 0.58 0.819277
130 UPA 0.578431 0.907895
131 7DD 0.578313 0.985714
132 ADJ 0.576923 0.851852
133 3AM 0.576923 0.929577
134 COD 0.575472 0.811765
135 NAD 0.575472 0.931507
136 3AT 0.574713 0.971831
137 JB6 0.574468 0.883117
138 4UW 0.574257 0.860759
139 EP4 0.573333 0.753247
140 A2P 0.573171 0.957143
141 CNA 0.571429 0.932432
142 TYM 0.568627 0.906667
143 PPS 0.568182 0.873418
144 TYR AMP 0.56701 0.881579
145 DTA 0.565789 0.786667
146 M2T 0.565789 0.734177
147 AR6 AR6 0.565657 0.917808
148 A3D 0.564815 0.918919
149 3DH 0.564103 0.773333
150 G5A 0.563218 0.77907
151 YLB 0.563107 0.819277
152 YLC 0.563107 0.839506
153 AMP DBH 0.561224 0.893333
154 MTA 0.558442 0.773333
155 DTP 0.556818 0.905405
156 AHZ 0.554455 0.817073
157 NA7 0.553191 0.958904
158 IOT 0.552381 0.831325
159 7MD 0.55 0.8625
160 ZAS 0.55 0.766234
161 IMO 0.548781 0.929577
162 YLA 0.54717 0.819277
163 NAE 0.544643 0.894737
164 TAD 0.544554 0.884615
165 A5A 0.544444 0.807229
166 2AM 0.544304 0.943662
167 TSB 0.543478 0.819277
168 6RE 0.54321 0.759494
169 AYB 0.542056 0.809524
170 NAQ 0.539823 0.871795
171 V3L 0.539326 0.971831
172 ARG AMP 0.539216 0.829268
173 AF3 ADP 3PG 0.538462 0.8375
174 SSA 0.538462 0.8
175 LA8 ALF 3PG 0.538462 0.8375
176 ALF ADP 3PG 0.538462 0.8375
177 ZID 0.535088 0.918919
178 LPA AMP 0.533981 0.817073
179 54H 0.532609 0.788235
180 52H 0.532609 0.77907
181 VMS 0.532609 0.788235
182 BTX 0.53211 0.841463
183 J7C 0.53012 0.769231
184 A3N 0.53012 0.786667
185 5X8 0.528736 0.763158
186 BT5 0.527273 0.831325
187 5CA 0.526882 0.8
188 53H 0.526882 0.77907
189 ARU 0.526316 0.860759
190 EAD 0.525862 0.873418
191 RGT 0.525253 0.958904
192 OVE 0.52439 0.905405
193 S4M 0.52381 0.666667
194 7DT 0.522727 0.985714
195 GDP 0.522222 0.92
196 DDS 0.522222 0.878378
197 AVV 0.521277 0.896104
198 NDE 0.521008 0.932432
199 7MC 0.518868 0.841463
200 DSH 0.518072 0.725
201 MAO 0.517647 0.759036
202 LSS 0.515789 0.761364
203 DSZ 0.515789 0.8
204 NSS 0.515789 0.8
205 P5A 0.515464 0.744444
206 DZD 0.513514 0.884615
207 NVA LMS 0.510417 0.761364
208 12D 0.509615 0.785714
209 NAD IBO 0.509091 0.87013
210 M24 0.508772 0.85
211 YLY 0.508772 0.809524
212 P1H 0.508333 0.851852
213 5AD 0.506849 0.746479
214 GJV 0.505882 0.75
215 LEU LMS 0.505155 0.761364
216 G A A A 0.504505 0.871795
217 4TA 0.504505 0.807229
218 NAJ PZO 0.504425 0.848101
219 KAA 0.5 0.752809
220 NDC 0.5 0.871795
221 7D7 0.5 0.743243
222 71V 0.5 0.907895
223 A3G 0.5 0.8
224 128 0.5 0.776471
225 GSU 0.5 0.77907
226 N0B 0.495726 0.819277
227 NJP 0.495495 0.945946
228 ODP 0.495495 0.909091
229 2SA 0.494624 0.932432
230 6C6 0.494505 0.881579
231 SFG 0.494382 0.75
232 0WD 0.491071 0.921053
233 YSA 0.490196 0.77907
234 PO4 PO4 A A A A PO4 0.489796 0.902778
235 6IA 0.48913 0.8375
236 SAM 0.48913 0.690476
237 A7D 0.488636 0.776316
238 6FA 0.488 0.841463
239 FB0 0.487805 0.804598
240 NAJ PYZ 0.487179 0.85
241 IDP 0.483516 0.918919
242 A5D 0.483516 0.786667
243 SA8 0.483516 0.707317
244 MHZ 0.483146 0.697674
245 PGS 0.483146 0.883117
246 D5M 0.482353 0.878378
247 DA 0.482353 0.878378
248 NEC 0.482353 0.746667
249 NIA 0.481928 0.822785
250 Y3J 0.480519 0.726027
251 FAD 0.480315 0.851852
252 FAS 0.480315 0.851852
253 FDA 0.48 0.833333
254 N6P 0.479592 0.915493
255 GGZ 0.479167 0.825
256 SAH 0.478261 0.74359
257 SAI 0.478261 0.734177
258 NPW 0.477477 0.886076
259 NDP 0.477477 0.921053
260 AAM 0.476744 0.971429
261 AMZ 0.47561 0.916667
262 C2R 0.47561 0.90411
263 A A A 0.474747 0.905405
264 GTP 0.473684 0.92
265 U A G G 0.473684 0.883117
266 SMM 0.473684 0.686047
267 TXP 0.473214 0.921053
268 NZQ 0.473214 0.909091
269 A3S 0.47191 0.810811
270 AMP NAD 0.470588 0.881579
271 SFD 0.46875 0.734043
272 AIR 0.468354 0.901408
273 AAT 0.468085 0.707317
274 EEM 0.468085 0.690476
275 Z5A 0.466667 0.77907
276 7C5 0.466667 0.818182
277 J7V 0.466667 0.833333
278 62F 0.465649 0.8625
279 FAY 0.462121 0.8625
280 ETB 0.461538 0.833333
281 DCA 0.461538 0.823529
282 A3T 0.461538 0.821918
283 A6D 0.46 0.722892
284 A U 0.459459 0.87013
285 6K6 0.459184 0.930556
286 GEK 0.459184 0.7375
287 RFL 0.458647 0.821429
288 S7M 0.458333 0.690476
289 NAP 0.458333 0.945205
290 4YB 0.457944 0.761364
291 WSA 0.454545 0.788235
292 TAP 0.454545 0.907895
293 FNK 0.454545 0.804598
294 COA 0.453782 0.823529
295 0T1 0.453782 0.823529
296 101 0.453488 0.878378
297 XNP 0.452174 0.873418
298 NA0 0.45082 0.932432
299 7RP 0.448276 0.928571
300 GP3 0.446809 0.921053
301 TM1 0.446602 0.77381
302 APU 0.446429 0.894737
303 PUA 0.445378 0.884615
304 V1N 0.443396 0.917808
305 7RA 0.443182 0.957747
306 30N 0.442623 0.752688
307 CAO 0.442623 0.795455
308 AMX 0.442623 0.833333
309 COS 0.442623 0.804598
310 ACK 0.44186 0.861111
311 QQY 0.44186 0.815789
312 649 0.441441 0.744444
313 0UM 0.44 0.698795
314 NHD 0.439655 0.905405
315 CMX 0.439024 0.823529
316 SCO 0.439024 0.823529
317 GCP 0.438776 0.896104
318 8BR 0.438202 0.906667
319 GNH 0.4375 0.907895
320 3AD 0.4375 0.805556
321 62X 0.435644 0.666667
322 ACO 0.435484 0.795455
323 FCX 0.435484 0.795455
324 FAM 0.435484 0.804598
325 GNP 0.434343 0.896104
326 NMX 0.433071 0.76087
327 MGP 0.43299 0.884615
328 PLP AAD 0.432203 0.741573
329 26A 0.432099 0.763158
330 HAX 0.432 0.804598
331 K15 0.431373 0.682353
332 DG1 0.430894 0.921053
333 1DG 0.430894 0.921053
334 QQX 0.430233 0.805195
335 2VA 0.430108 0.8
336 S8M 0.43 0.759494
337 2MC 0.429688 0.769231
338 3KK 0.428571 0.804598
339 6G0 0.428571 0.884615
340 FYN 0.428571 0.823529
341 P5F 0.428571 0.823529
342 NAD BBN 0.428571 0.841463
343 U G A 0.427481 0.839506
344 AS 0.426966 0.833333
345 FAI 0.426966 0.916667
346 RMB 0.426966 0.873239
347 1RB 0.425287 0.885714
348 MCD 0.425197 0.804598
349 OXK 0.425197 0.804598
350 COK 0.425197 0.804598
351 CA6 0.425197 0.729167
352 SOP 0.425197 0.804598
353 G1R 0.424242 0.907895
354 CC5 0.423077 0.816901
355 SXZ 0.423077 0.710843
356 F2N 0.422535 0.813953
357 NAD CJ3 0.422222 0.811765
358 ANZ 0.422018 0.8
359 CMC 0.421875 0.804598
360 CO6 0.421875 0.804598
361 1VU 0.421875 0.795455
362 ZDA 0.421053 0.864865
363 GDD 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDC 0.420561 0.884615
366 NFD 0.420168 0.883117
367 GSP 0.42 0.873418
368 D3Y 0.42 0.789474
369 MC4 0.419847 0.76087
370 3L1 0.419753 0.773333
371 3D1 0.419753 0.773333
372 FA9 0.41958 0.864198
373 5GP 0.419355 0.906667
374 G 0.419355 0.906667
375 KB1 0.419048 0.698795
376 SCD 0.418605 0.823529
377 CAJ 0.418605 0.804598
378 2BA 0.417582 0.915493
379 CMP 0.417582 0.901408
380 SO8 0.416667 0.789474
381 N01 0.416667 0.905405
382 VRT 0.416667 0.769231
383 3HC 0.415385 0.813953
384 A1S 0.415385 0.804598
385 BCO 0.415385 0.804598
386 IVC 0.415385 0.813953
387 MLC 0.415385 0.804598
388 1HE 0.415385 0.786517
389 NMN AMP PO4 0.415254 0.87013
390 2FA 0.414634 0.813333
391 MGO 0.414141 0.860759
392 3NZ 0.413462 0.782051
393 MCA 0.412214 0.795455
394 CAA 0.412214 0.813953
395 YE1 0.412214 0.813953
396 COO 0.412214 0.804598
397 GAV 0.411765 0.884615
398 P2P 0.411111 0.902778
399 JLN 0.411111 0.890411
400 ZZB 0.410256 0.77381
401 CNV FAD 0.410072 0.793103
402 SCA 0.409091 0.804598
403 RP1 0.409091 0.842105
404 103 0.409091 0.837838
405 2CP 0.409091 0.795455
406 SP1 0.409091 0.842105
407 PAX 0.408 0.829268
408 FAD NBT 0.407143 0.75
409 NVA 2AD 0.40625 0.74359
410 COW 0.406015 0.795455
411 BYC 0.406015 0.804598
412 2KQ 0.406015 0.786517
413 COF 0.406015 0.786517
414 3CP 0.406015 0.804598
415 IRC 0.406015 0.813953
416 1GZ 0.406015 0.795455
417 HGG 0.406015 0.804598
418 CA8 0.406015 0.729167
419 G2P 0.405941 0.884615
420 SLU 0.404959 0.770115
421 U A C C 0.404959 0.858974
422 RBZ 0.404494 0.849315
423 1CZ 0.404412 0.795455
424 BCA 0.402985 0.795455
425 FAQ 0.402985 0.804598
426 4CA 0.402985 0.795455
427 MTP 0.402439 0.730769
428 8OD 0.402062 0.945205
429 CO7 0.401515 0.804598
430 DAL FAD PER 0.401408 0.809524
431 G2R 0.4 0.884615
432 HXC 0.4 0.786517
433 ENQ 0.4 0.916667
434 GMV 0.4 0.896104
435 GRA 0.4 0.804598
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TZD; Ligand: ADP; Similar sites found: 401
This union binding pocket(no: 1) in the query (biounit: 1tzd.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BP1 GUN 0.008302 0.42431 None
2 1RJD SAM 0.01259 0.4227 0.727273
3 3H4V DVP 0.009045 0.46135 1.09091
4 3H4V NAP 0.01149 0.45295 1.09091
5 5CCM 4ZX 0.04608 0.41866 1.45455
6 5CCM SAM 0.03933 0.41866 1.45455
7 3QWI CUE 0.02163 0.43325 1.48148
8 3QWI NAP 0.0152 0.43325 1.48148
9 2XVM SAH 0.01232 0.41732 1.50754
10 2BFR ADP 0.03238 0.40442 1.5625
11 2J9D AMP 0.02514 0.40377 1.68067
12 4POJ 2VP 0.02229 0.41104 1.7316
13 1RE8 BD2 0.00007602 0.56959 1.81818
14 5BVE 4VG 0.0002034 0.55605 1.81818
15 2GU8 796 0.0001713 0.55361 1.81818
16 4QMN DB8 0.00009134 0.55173 1.81818
17 4OTH DRN 0.0003528 0.50714 1.81818
18 3DNT ATP 0.0004488 0.4903 1.81818
19 3E7O 35F 0.001485 0.48361 1.81818
20 4RIF 3R2 0.02358 0.41149 1.81818
21 4XB2 NDP 0.02406 0.41095 1.81818
22 5JBX COA 0.004507 0.43847 1.91571
23 4X7Q 3YR 0.00008915 0.40752 1.92308
24 3NUG NAD 0.04872 0.4036 2.02429
25 5AWM ANP 0.0005406 0.41277 2.03046
26 1T0I FMN 0.001277 0.46951 2.09424
27 4AZW ATP 0.00002952 0.55771 2.18182
28 3X01 AMP 0.00001255 0.50972 2.18182
29 2XK9 XK9 0.0009829 0.49469 2.18182
30 2VPQ ANP 0.0006273 0.4879 2.18182
31 4QIJ 1HA 0.01122 0.47227 2.18182
32 2VN9 GVD 0.0001262 0.44715 2.18182
33 2YY7 NAD 0.01141 0.43973 2.18182
34 3HAV ATP 0.002038 0.43711 2.18182
35 4AZT LY2 0.0001822 0.43142 2.18182
36 1MXH DHF 0.03871 0.41525 2.18182
37 1KNR FAD 0.04767 0.41146 2.18182
38 1ON3 MCA 0.02593 0.40937 2.18182
39 1QO8 FAD 0.04179 0.40858 2.18182
40 2BGM NAJ 0.02796 0.40729 2.18182
41 5JGL SAM 0.02104 0.40722 2.18182
42 1U59 STU 0.0002208 0.40468 2.18182
43 2BLE 5GP 0.03473 0.40126 2.18182
44 4J4H NAI 0.04458 0.41407 2.3166
45 4J4H 1J1 0.04326 0.41407 2.3166
46 4JK3 NAD 0.03127 0.40589 2.3166
47 1ZCH FMN 0.02793 0.40589 2.35294
48 2ZE7 AMP 0.04918 0.40041 2.37154
49 4NM5 ADP 0.00001769 0.57069 2.54545
50 3F7Z 34O 0.00001984 0.55422 2.54545
51 4BTK DTQ 0.00002997 0.54505 2.54545
52 5I35 ANP 0.00003718 0.53973 2.54545
53 4WB6 ATP 0.00008343 0.53963 2.54545
54 4YZN 4K5 0.0001568 0.52003 2.54545
55 2X4Z X4Z 0.0003914 0.51584 2.54545
56 5U6C 7YS 0.001702 0.46861 2.54545
57 3BU5 ATP 0.001791 0.45814 2.54545
58 5UIU 8CG 0.005266 0.44644 2.54545
59 4YMJ 4EJ 0.0004254 0.44431 2.54545
60 5CEO 50D 0.005115 0.43442 2.54545
61 4C3Y ANB 0.02102 0.43174 2.54545
62 4C3Y FAD 0.01952 0.42927 2.54545
63 1EZ4 NAD 0.01511 0.42417 2.54545
64 5IBE 69M 0.02463 0.42402 2.54545
65 1O9U ADZ 0.004568 0.42322 2.54545
66 2RKV COA 0.02394 0.41986 2.54545
67 3ZRM ZRM 0.00005023 0.41698 2.54545
68 4NFN 2KC 0.00008351 0.4169 2.54545
69 4FMU 0UM 0.02525 0.412 2.54545
70 2V6G NAP 0.0329 0.40674 2.54545
71 4XVX P6G FDA 0.04915 0.40606 2.54545
72 1W6U NAP 0.04213 0.40326 2.54545
73 3QCQ 3Q0 0.004542 0.49368 2.5641
74 5K2M ADP 0.0009567 0.48204 2.5641
75 5LVP ATP 0.0006274 0.4812 2.57235
76 5FBN 5WF 0.004271 0.4527 2.58303
77 4N9I PCG 0.02683 0.43332 2.85714
78 5LAU AR6 0.01929 0.41768 2.88462
79 3TII ANP 0.000001255 0.60769 2.90909
80 4CQE CQE 0.000261 0.5294 2.90909
81 5HCY 60D 0.0009319 0.50306 2.90909
82 1GSA ADP 0.0003128 0.49943 2.90909
83 4XV1 904 0.001261 0.48267 2.90909
84 5USZ SKE 0.001564 0.48234 2.90909
85 1M0W ANP 0.0004272 0.48074 2.90909
86 5KO1 6UY 0.0008661 0.47991 2.90909
87 5KOK S9T 0.008806 0.4489 2.90909
88 3B2Q ATP 0.004469 0.44732 2.90909
89 2HGS ADP 0.002725 0.44476 2.90909
90 5KOK R9T 0.01085 0.44361 2.90909
91 1E7S NAP 0.01209 0.44274 2.90909
92 5KOK SAH 0.006229 0.43932 2.90909
93 1I8T FAD 0.02909 0.42019 2.90909
94 1XHL NDP 0.02173 0.41967 2.90909
95 5EKO N17 0.01147 0.41657 2.90909
96 4F97 VDO 0.02633 0.41601 2.90909
97 3TKY SAH 0.01647 0.41088 2.90909
98 3KLL MAL 0.04881 0.41014 2.90909
99 1YXM ADE 0.01173 0.40882 2.90909
100 4D3S BOG 0.01883 0.40656 2.90909
101 3MGB GHP 3MY 3FG GHP GHP OMY 3FG 0.02075 0.40442 2.90909
102 4G87 UD1 0.03355 0.40348 2.90909
103 2VSS ACO 0.03157 0.40272 2.90909
104 1FWM CB3 0.01017 0.41607 3.0303
105 4INI AMP 0.0129 0.41687 3.07692
106 4JGP PYR 0.004315 0.41875 3.22581
107 3FHI ANP 0.00003066 0.56733 3.24675
108 3DLS ADP 0.00000563 0.58968 3.27273
109 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.0005878 0.52244 3.27273
110 2JDR L20 0.0005878 0.52244 3.27273
111 2YRX AMP 0.0001072 0.49905 3.27273
112 4MV1 ADP 0.001372 0.48275 3.27273
113 5EOB 5QQ 0.004377 0.47486 3.27273
114 4XYM A12 0.0007301 0.47152 3.27273
115 5TO8 7FM 0.003743 0.46018 3.27273
116 1PHK ATP 0.001887 0.45825 3.27273
117 2PK3 A2R 0.01147 0.42269 3.27273
118 2WA2 SAM 0.01809 0.41482 3.27273
119 4NST ADP 0.009781 0.41293 3.27273
120 1ORR NAD 0.04667 0.40215 3.27273
121 2E2R 2OH 0.0181 0.42811 3.27869
122 1AE1 NAP 0.01525 0.42878 3.2967
123 2NYR SVR 0.03927 0.43938 3.32103
124 5T8O 76Z 0.00001198 0.41394 3.4384
125 3OOI SAM 0.0163 0.40606 3.44828
126 3VKX T3 0.01516 0.40146 3.44828
127 4NBW NAD 0.02251 0.42097 3.50195
128 3FRH SAH 0.01313 0.43059 3.55731
129 5HQ0 LZ9 0.00002685 0.56109 3.57143
130 4Y8D 49J 0.0001028 0.40956 3.57143
131 5LXC 7AA 0.00002126 0.55701 3.63636
132 5X8I SQZ 0.00002284 0.55556 3.63636
133 4BHN BH9 0.00002867 0.55277 3.63636
134 3TKI S25 0.0009139 0.5151 3.63636
135 5IH9 6BF 0.0003681 0.51266 3.63636
136 5W4W 9WG 0.0003344 0.51143 3.63636
137 2B9H ADP 0.0001564 0.51141 3.63636
138 4ASE AV9 0.0003502 0.51119 3.63636
139 2YAB AMP 0.0001913 0.51017 3.63636
140 4YLL 4E3 0.0003877 0.49606 3.63636
141 1IOW PHY 0.001401 0.49339 3.63636
142 1IOW ADP 0.001401 0.49339 3.63636
143 3M2W L8I 0.000002792 0.48331 3.63636
144 4O1P ANP 0.001557 0.45507 3.63636
145 1K3A ACP 0.001948 0.45253 3.63636
146 4CSV STI 0.005059 0.44469 3.63636
147 5X20 NAD 0.007392 0.44131 3.63636
148 5DZT AMP 0.002018 0.4406 3.63636
149 2B9J ADP 0.00008395 0.41646 3.63636
150 4EUE NAI 0.03595 0.41552 3.63636
151 2HY0 306 0.0002692 0.41318 3.63636
152 2B9F ADP 0.000106 0.40693 3.63636
153 2B9I ADP 0.0001104 0.40634 3.63636
154 4KBA 1QM 0.001553 0.40481 3.63636
155 4CS9 AMP 0.0005289 0.46567 3.7037
156 5THZ SAH 0.03674 0.40697 3.7037
157 5THY SAH 0.033 0.40687 3.7037
158 3KCC CMP 0.01277 0.42001 3.84615
159 5MW8 ATP 0.000007976 0.59482 4
160 2R85 AMP 0.0003479 0.52156 4
161 4Y0X ADP 0.0002385 0.49701 4
162 4U0I 0LI 0.001128 0.4862 4
163 2PYW ADP 0.0000002505 0.45834 4
164 4I42 1HA 0.01326 0.45705 4
165 1S4M LUM 0.004478 0.45696 4
166 5MJA 7O3 0.001267 0.45671 4
167 1OUK 084 0.01401 0.45641 4
168 1CM8 ANP 0.000007325 0.44556 4
169 3CV9 VDX 0.01811 0.42885 4
170 5G61 FNY 0.007846 0.42614 4
171 2PZI AXX 0.0001344 0.42559 4
172 4O1M NAD 0.02114 0.42317 4
173 4Q9N NAI 0.02084 0.42142 4
174 5FJN FAD 0.04584 0.40782 4
175 4LRZ ADP 0.01955 0.40468 4
176 2VSU ACO 0.03019 0.40387 4
177 2Z7R STU 0.00003821 0.40324 4
178 4Q5H ANP 0.0001859 0.40347 4.02299
179 3FW3 GLC 0.01849 0.40499 4.13534
180 3RE4 TO1 0.0000004496 0.51888 4.26357
181 1ZTH ADP 0.000003057 0.48886 4.26357
182 1ZP9 ATP 0.000003133 0.463 4.26357
183 3TXO 07U 0.00000604 0.58495 4.36364
184 2QCS ANP 0.00006295 0.54628 4.36364
185 5DEY 59T 0.0003476 0.54003 4.36364
186 5HES 032 0.0001573 0.5237 4.36364
187 3PE2 E1B 0.0003986 0.52027 4.36364
188 4USF 6UI 0.0007496 0.48475 4.36364
189 2XVD AS6 0.001473 0.47287 4.36364
190 3AKK ADP 0.001036 0.46175 4.36364
191 5LXM ADP 0.002033 0.45901 4.36364
192 5LPZ ADP 0.002714 0.44638 4.36364
193 5LPB ADP 0.00217 0.44117 4.36364
194 2OFV 242 0.007851 0.44 4.36364
195 1GP6 SIN 0.008503 0.43236 4.36364
196 1GP6 DH2 0.008503 0.43236 4.36364
197 1GP6 QUE 0.009122 0.43216 4.36364
198 4XH0 ADP 0.0008394 0.43185 4.36364
199 1G0N PHH 0.03292 0.42197 4.36364
200 1G0N NDP 0.04946 0.40769 4.36364
201 1Q8Y ADE 0.001208 0.40747 4.36364
202 3X0D SAH 0.02307 0.40326 4.36364
203 4XSU GLC 0.02557 0.40513 4.38144
204 4XSU UDP 0.02688 0.40412 4.38144
205 5UOX 8GY 0.00003185 0.55676 4.42804
206 5EW9 5VC 0.015 0.46633 4.42804
207 1ZN7 HSX 0.009076 0.40947 4.44444
208 1ZN7 ADE 0.009076 0.40947 4.44444
209 1JXZ BCA 0.004647 0.44998 4.46097
210 1NZY BCA 0.004829 0.44906 4.46097
211 3E8T UQ8 0.04065 0.42297 4.54545
212 2AE2 NAP 0.04323 0.41667 4.61538
213 2AE2 PTO 0.04323 0.41667 4.61538
214 5I2E 67D 0.03637 0.42094 4.65116
215 2Q7D ANP 0.00007565 0.5432 4.72727
216 4CRL C1I 0.0003958 0.51374 4.72727
217 1UNH IXM 0.0001257 0.50519 4.72727
218 5A6N U7E 0.0004352 0.49388 4.72727
219 4CLI 5P8 0.002567 0.48432 4.72727
220 5M06 ADP 0.000665 0.4828 4.72727
221 3PLS ANP 0.001099 0.47365 4.72727
222 5GZ9 ANP 0.001899 0.46765 4.72727
223 1BYG STU 0.001035 0.4672 4.72727
224 4UWH JXM 0.00002993 0.43909 4.72727
225 4AU8 Z3R 0.0003457 0.4206 4.72727
226 3HZT J60 0.0004061 0.41942 4.72727
227 3WVR AMP 0.0002724 0.41341 4.72727
228 5BV3 M7G 0.02252 0.40855 4.72727
229 4ZA2 NAD 0.03513 0.41042 4.74308
230 5K7U SAM 0.01665 0.41148 4.88889
231 4WZV E40 0.02978 0.41258 5
232 2QX0 PH2 0.01207 0.40022 5.03145
233 2ZV2 609 0.00004502 0.45165 5.03356
234 3G5D 1N1 0.0005958 0.52957 5.09091
235 5C1P DAL DAL 0.001369 0.47171 5.09091
236 5C1P ADP 0.0008328 0.46458 5.09091
237 3VC1 SAH 0.0191 0.43624 5.09091
238 3PTG 932 0.003979 0.42993 5.09091
239 1XJD STU 0.00001677 0.4172 5.09091
240 3A7R LAQ 0.02788 0.41427 5.09091
241 2OAZ I96 0.02686 0.40259 5.09091
242 4K39 SAM 0.03477 0.40177 5.09091
243 1JA9 NDP 0.005592 0.46289 5.10949
244 2GDZ NAD 0.04607 0.40548 5.24345
245 5H86 BCO 0.02551 0.41246 5.35714
246 5AX9 4KT 0.00003671 0.53973 5.45455
247 4IJP 1EH 0.0002351 0.51357 5.45455
248 3KN5 ANP 0.0004146 0.48361 5.45455
249 5DXT 5H5 0.0007713 0.48232 5.45455
250 3C0G 3AM 0.0005876 0.48142 5.45455
251 2F2U M77 0.00004681 0.44863 5.45455
252 4BKJ STI 0.01171 0.42609 5.45455
253 4U98 ACP 0.00003064 0.42605 5.45455
254 2WEI VGG 0.006779 0.42045 5.45455
255 3VSV XYS 0.006082 0.40417 5.45455
256 3LCC SAH 0.0131 0.41616 5.53191
257 4PNE SAH 0.03184 0.40393 5.62914
258 3V8S 0HD 0.00002775 0.55328 5.81818
259 4L3L 5FI 0.0003447 0.51065 5.81818
260 4JR7 GNP 0.0003125 0.49037 5.81818
261 4P5Z Q7M 0.006345 0.45014 5.81818
262 4N9Z V3L 0.01563 0.40748 5.81818
263 3T7S SAM 0.008709 0.43159 5.97015
264 5CUQ NSC 0.02264 0.42044 5.99251
265 3GCZ SAM 0.01561 0.4198 6.02837
266 3O0G 3O0 0.0005079 0.47338 6.04027
267 2AG5 NAD 0.03627 0.41096 6.09756
268 3NW7 LGV 0.008743 0.44875 6.18182
269 5IQD RIO 0.01767 0.4165 6.18182
270 5IQD GNP 0.01697 0.4165 6.18182
271 4WAS NAP 0.04933 0.40613 6.18182
272 3GC0 AMP 0.001683 0.4564 6.38298
273 4IPH 1FJ 0.03591 0.4053 6.50407
274 3UDZ ADP 0.000002104 0.62333 6.54545
275 4U44 3D9 0.00001837 0.55921 6.54545
276 5LI1 ANP 0.00004621 0.5475 6.54545
277 4DC2 ADE 0.00008038 0.50913 6.54545
278 5VC5 96M 0.001118 0.48677 6.54545
279 5JZJ AN2 0.0005329 0.48261 6.54545
280 4WNK 453 0.001614 0.47925 6.54545
281 4WNP 3RJ 0.00008821 0.43601 6.54545
282 5BYZ 4WE 0.01767 0.42501 6.54545
283 4FF8 14S 0.01318 0.41014 6.54545
284 5LI9 ACP 0.00007232 0.40505 6.54545
285 3FHR P4O 0.00007572 0.402 6.54545
286 1FUT 2GP 0.008882 0.40535 6.60377
287 5ETR 5RW 0.01994 0.42324 6.8323
288 5ETR APC 0.01994 0.42324 6.8323
289 2R7K AMZ 0.0003071 0.52407 6.90909
290 3MVH WFE 0.0002989 0.5118 6.90909
291 4GYI ADP 0.0000006746 0.49851 6.90909
292 5XDT MB3 0.03408 0.41034 6.90909
293 5ITV NAI 0.03846 0.41332 7.05882
294 3LGS ADE 0.01491 0.41468 7.11611
295 2GQR ADP 0.001797 0.45331 7.173
296 4UAL 3FV 0.000006712 0.59042 7.27273
297 4GJ3 0XP 0.00008497 0.55187 7.27273
298 5JKG 6LF 0.001555 0.49145 7.27273
299 2WTX UDP 0.001952 0.48551 7.27273
300 4A4X JUP 0.001235 0.48208 7.27273
301 2WTX VDO 0.005236 0.46053 7.27273
302 4ME6 ADP 0.0002873 0.44989 7.27273
303 2PUL ACP 0.00000645 0.44486 7.27273
304 1TQP ATP 0.000001294 0.41589 7.27273
305 4M69 ANP 0.01241 0.41559 7.27273
306 2OD9 A1R NCA 0.03118 0.41036 7.27273
307 3TN7 NJP 0.04368 0.41021 7.393
308 2HK5 1BM 0.0007105 0.47993 7.40741
309 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.01402 0.41527 7.40741
310 5JFS 6K0 0.002635 0.47739 7.46753
311 5JO1 6LM 0.01811 0.4052 7.56757
312 5K6A NAP 0.005406 0.46122 7.63636
313 2Q4H AMP 0.004236 0.45751 7.63636
314 4CME NAP 0.006729 0.45319 7.63636
315 5JDC NAP 0.007242 0.45079 7.63636
316 4CLR NAP 0.007405 0.45041 7.63636
317 5JDI NAP 0.00747 0.45 7.63636
318 4CM9 NAP 0.008076 0.44954 7.63636
319 4CLO NAP 0.008008 0.44636 7.63636
320 3JQ9 NAP 0.01697 0.42811 7.63636
321 1DL5 SAH 0.02452 0.41484 7.63636
322 5EFQ ADP 0.0109 0.4098 7.63636
323 4TWP AXI 0.0007729 0.50606 7.74908
324 2WD7 NAP 0.006979 0.45219 7.83582
325 5G1X ADP 0.002425 0.45007 7.93651
326 2IF8 ADP 0.000000000003409 0.75705 8
327 3VOT ADP 0.0006433 0.47998 8
328 4OUC 5ID 0.00885 0.41422 8
329 4HXY NDP 0.02906 0.41156 8
330 4R78 AMP 0.001181 0.41029 8
331 5EPL 5R0 PHE ALA LEU ELY 5R5 0.01454 0.40736 8.33333
332 3OFM 4B0 0.00009112 0.51393 8.36364
333 1VJY 460 0.000496 0.5131 8.36364
334 3RI1 3RH 0.001285 0.48513 8.36364
335 5UR1 YY9 0.002226 0.47567 8.36364
336 4ZGP ADP 0.005083 0.42996 8.36364
337 1RP0 AHZ 0.02064 0.41827 8.36364
338 1NBU PH2 0.001058 0.46472 8.40336
339 5H2U 1N1 0.0008524 0.4784 8.61423
340 5FI4 5XV 0.0002316 0.51216 8.72727
341 2XMY CDK 0.01069 0.45549 8.72727
342 4BCM T7Z 0.002334 0.43862 8.72727
343 4Y85 499 0.007106 0.42357 8.72727
344 4I53 1C1 0.01673 0.41732 8.72727
345 4CFU 2WC 0.0002991 0.40934 8.72727
346 3I0O ADP 0.0002879 0.42661 8.84956
347 5VLQ ANP 0.00000003148 0.60845 9.09091
348 4WW7 AMP 0.000004725 0.60719 9.09091
349 4G17 0VN 0.000005675 0.59204 9.09091
350 5CKW ANP 0.00002331 0.54217 9.09091
351 5C4L 4XR 0.0004793 0.5041 9.09091
352 3AQV TAK 0.0006731 0.48396 9.09091
353 4DFU QUE 0.0001423 0.45384 9.09091
354 3OID NDP 0.02868 0.41915 9.09091
355 1VL0 NAI 0.04494 0.40512 9.09091
356 5L8L ADP 0.001693 0.45776 9.40171
357 5VZ0 ADP 0.0003864 0.48813 9.45455
358 2V7O DRN 0.00005158 0.52 9.81818
359 5MY8 RXZ 0.002754 0.45335 9.81818
360 3GGF GVD 0.0001561 0.41418 9.81818
361 2WEL K88 0.0004668 0.48008 10
362 4D2S DYK 0.0002124 0.50786 10.1818
363 4I54 1C1 0.001107 0.48718 10.1818
364 4CYI ATP 0.001572 0.46831 10.1818
365 1LFD GNP 0.03493 0.40077 10.3448
366 4F9C 0SX 0.00001251 0.43861 10.4167
367 3SRV S19 0.0001036 0.51866 10.5455
368 1V0O INR 0.0001851 0.40129 10.5455
369 4F4P 0SB 0.00138 0.50615 10.6227
370 5DBX ANP 0.00203 0.45862 10.9091
371 5LXT ACP 0.00001614 0.40419 10.9375
372 4YZC STU 0.0003262 0.52489 11.2727
373 2QK4 ATP 0.000142 0.50982 11.2727
374 5N87 N66 0.003003 0.47306 11.5016
375 4XLI 1N1 0.00008495 0.4203 11.5672
376 4AUA 4AU 0.0008546 0.46865 11.6364
377 4IX4 ADP 0.0002242 0.50332 11.7143
378 5C03 AGS 0.003354 0.4548 12
379 4L9I 8PR 0.01158 0.41372 12
380 5XLY C2E 0.02385 0.41117 12.0301
381 5DH3 5BS 0.001825 0.45037 12.3636
382 4WN5 MVC 0.02536 0.40767 13.0435
383 3KRR DQX 0.0007343 0.52636 13.0909
384 5A89 ADP 0.006056 0.4693 13.4615
385 5A89 FMN 0.006056 0.4693 13.4615
386 1CBK ROI 0.009228 0.4123 13.75
387 3L9W AMP 0.02055 0.42706 14.5455
388 5M3E APR 0.007038 0.44589 16.3636
389 2BKK ADP 0.00008786 0.51919 16.6667
390 3VPD ANP 0.0001429 0.52711 16.7273
391 2W62 BGC BGC BGC BGC BGC 0.02815 0.42369 16.7273
392 4N70 2HX 0.0006359 0.51474 18.1818
393 1TMM APC 0.04958 0.40166 18.3544
394 1TMM HHR 0.04778 0.40166 18.3544
395 5UKL SIX 0.004817 0.44574 19.3548
396 5EYK 5U5 0.001299 0.4894 28.8136
397 4C2W ANP 0.0008614 0.47454 32.6923
398 4O4F IHP 0.0000000005104 0.83674 43.9516
399 4O4F ATP 0.0000000004506 0.83674 43.9516
400 5W2I I3P 0.00000000007835 0.8868 46.6926
401 5W2I ADP 0.00000000007835 0.8868 46.6926
Pocket No.: 2; Query (leader) PDB : 1TZD; Ligand: ADP; Similar sites found: 53
This union binding pocket(no: 2) in the query (biounit: 1tzd.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DCP HBI 0.003664 0.42891 None
2 4HBM 0Y7 0.006727 0.42811 None
3 2Y9G LAT 0.005463 0.40616 None
4 2Y9G LBT 0.005463 0.40616 None
5 4OGN 2U5 0.0245 0.40356 None
6 2J9D ADP 0.02587 0.40895 1.68067
7 4GCZ FMN 0.01969 0.40069 1.81818
8 3RSC TYD 0.02409 0.4004 1.81818
9 3IAA TYD 0.0227 0.40007 1.81818
10 1SR7 MOF 0.02681 0.41473 1.9305
11 1V84 UDP 0.01528 0.40009 1.97628
12 4QED NAP 0.04631 0.4071 2.01613
13 5SVV FMN 0.0187 0.40808 2.18978
14 3KIV ACA 0.004612 0.40097 2.53165
15 9LDT NAD 0.04837 0.40418 2.54545
16 4WUJ FMN 0.01372 0.41361 2.72109
17 3PT9 SAH 0.007959 0.42803 2.90909
18 5LJW ANP 0.02619 0.40168 2.90909
19 1UCD URA 0.02299 0.40551 3.15789
20 5L4S 6KX 0.04953 0.41272 3.27273
21 5L4S NAP 0.04953 0.41272 3.27273
22 3ZH4 FLC 0.008386 0.40717 3.27273
23 4RDZ MYR 0.02076 0.406 3.27273
24 1T90 NAD 0.04736 0.40323 3.27273
25 1ZDT PEF 0.01611 0.42199 3.3195
26 2PT9 S4M 0.007266 0.43885 4
27 3CU0 UDP 0.02094 0.40557 4.36364
28 3CU0 GAL GAL SO4 0.04049 0.40557 4.36364
29 5DMZ ADP 0.0001417 0.40711 4.72727
30 5TDF ADP 0.02002 0.40619 4.72727
31 3QP8 HL0 0.007754 0.42905 4.8913
32 5L53 NAP 0.02855 0.41144 5.09091
33 1KQN NAD 0.03654 0.40375 5.09091
34 3LF0 ATP 0.03393 0.40314 5.26316
35 2J8C SPO 0.03263 0.43476 5.45455
36 5KJK 6T1 0.03345 0.42703 5.81818
37 5KJK SAM 0.03345 0.42703 5.81818
38 3EW2 BTN 0.01545 0.40531 5.92593
39 4KVX ACO 0.03786 0.40537 6.41026
40 5THQ NDP 0.04249 0.41003 6.90909
41 2VZ0 NAP 0.03591 0.44152 7.83582
42 2VZ0 D64 0.03591 0.44152 7.83582
43 5EYP GDP 0.02483 0.41567 8.36364
44 5C4L SIS 0.02569 0.4039 9.09091
45 4YNM SAM 0.02599 0.4005 9.29204
46 5ITZ GDP 0.02086 0.41564 9.44882
47 5L0U 660 0.03751 0.40334 9.52381
48 4LSJ LSJ 0.008735 0.42477 9.68992
49 4CNG SAH 0.01948 0.41516 10.1961
50 4YSX FAD 0.03736 0.41665 10.2564
51 5U3B 7TD 0.01936 0.41513 12
52 5L0S UDP 0.03001 0.402 14.2857
53 5MWE TCE 0.01047 0.40448 17.284
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