Receptor
PDB id Resolution Class Description Source Keywords
1W2D 1.94 Å EC: 2.1.7.127 HUMAN INOSITOL (1,4,5)-TRISPHOSPHATE 3-KINASE COMPLEXED WITH MN2+/ADP/INS(1,3,4,5)P4 HOMO SAPIENS INOSITOL PHOSPHATE KINASE ADP IP4 TRANSFERASE
Ref.: STRUCTURE OF A HUMAN INOSITOL 1,4,5-TRISPHOSPHATE 3-KINASE; SUBSTRATE BINDING REVEALS WHY IT IS NOT A PHOSPHOINOSITIDE 3-KINASE MOL.CELL V. 15 689 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4IP A:1463;
B:1463;
Valid;
Valid;
none;
none;
submit data
500.075 C6 H16 O18 P4 [C@H]...
ADP A:1462;
B:1462;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MN A:1464;
B:1464;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
SO4 A:1465;
A:1466;
B:1465;
Invalid;
Invalid;
Invalid;
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
1W2D 1.94 Å EC: 2.1.7.127 HUMAN INOSITOL (1,4,5)-TRISPHOSPHATE 3-KINASE COMPLEXED WITH MN2+/ADP/INS(1,3,4,5)P4 HOMO SAPIENS INOSITOL PHOSPHATE KINASE ADP IP4 TRANSFERASE
Ref.: STRUCTURE OF A HUMAN INOSITOL 1,4,5-TRISPHOSPHATE 3-KINASE; SUBSTRATE BINDING REVEALS WHY IT IS NOT A PHOSPHOINOSITIDE 3-KINASE MOL.CELL V. 15 689 2004
Members (2)
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@....
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: 4IP; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 4IP 1 1
2 I3P 0.724138 0.966667
3 I3S 0.724138 0.966667
4 5MY 0.714286 0.965517
5 5IP 0.714286 0.965517
6 IP5 0.714286 0.965517
7 I5P 0.714286 0.965517
8 I4P 0.653846 0.965517
9 I0P 0.62069 0.933333
10 ITP 0.6 0.966667
11 2IP 0.571429 0.966667
12 IHP 0.538462 0.965517
13 I6P 0.538462 0.965517
14 IP2 0.533333 0.966667
15 I4D 0.516129 0.933333
Ligand no: 2; 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 : 1W2D; Ligand: ADP; Similar sites found: 425
This union binding pocket(no: 1) in the query (biounit: 1w2d.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2V2V V12 0.03397 0.41019 1.50943
2 4QMN DB8 0.0002126 0.51749 1.88679
3 4L3L 5FI 0.0003312 0.50029 1.88679
4 4YZN 4K5 0.0002049 0.49985 1.88679
5 2GU8 796 0.001808 0.48717 1.88679
6 1U5R ATP 0.0004086 0.47414 1.88679
7 3DNT ATP 0.00169 0.45677 1.88679
8 4U0I 0LI 0.003493 0.45024 1.88679
9 5EKO N17 0.002215 0.44923 1.88679
10 1ZY5 ANP 0.001516 0.44703 1.88679
11 4YMJ 4EJ 0.00144 0.41967 1.88679
12 3TDV GDP 0.008695 0.41288 1.88679
13 1E4E ADP 0.009746 0.41241 1.88679
14 5JBX COA 0.003851 0.4319 1.91571
15 5VCV 1N1 0.0004633 0.48442 1.92926
16 5MW8 ATP 0.000003584 0.58585 2.26415
17 4E93 GUI 0.00009644 0.53048 2.26415
18 2VPQ ANP 0.0001129 0.51251 2.26415
19 2CSN CKI 0.0002165 0.50442 2.26415
20 4AZW ATP 0.0001385 0.50383 2.26415
21 4AZT LY2 0.000198 0.4807 2.26415
22 1U59 STU 0.0005321 0.47107 2.26415
23 2R5T ANP 0.0008138 0.46859 2.26415
24 4UWH JXM 0.0001566 0.46607 2.26415
25 3HAV ATP 0.0004046 0.44373 2.26415
26 4I94 ANP 0.003376 0.43046 2.26415
27 4QIJ 1HA 0.04433 0.42545 2.26415
28 1IA9 ANP 0.0005701 0.42252 2.26415
29 2OO8 RAJ 0.01496 0.40686 2.26415
30 3TPV ADE 0.001146 0.40544 2.26415
31 4CQE CQE 0.0008523 0.40478 2.26415
32 3ICC NAP 0.03645 0.40077 2.35294
33 4LRJ ANP 0.0002378 0.48534 2.36686
34 3QCQ 3Q0 0.005857 0.47578 2.5641
35 5LVP ATP 0.0003347 0.47296 2.57235
36 1O9U ADZ 0.00009522 0.51933 2.64151
37 3F7Z 34O 0.00006296 0.51547 2.64151
38 5I35 ANP 0.00006008 0.51378 2.64151
39 3ZRM ZRM 0.0001012 0.50559 2.64151
40 3EKK GS2 0.0007861 0.48974 2.64151
41 4WB6 ATP 0.0004731 0.48758 2.64151
42 4WB7 ATP 0.001218 0.47873 2.64151
43 2F57 23D 0.0005869 0.46415 2.64151
44 3BU5 ATP 0.0009098 0.45991 2.64151
45 5HVJ ANP 0.001149 0.45926 2.64151
46 3LXN MI1 0.001387 0.45535 2.64151
47 5UIU 8CG 0.002614 0.4552 2.64151
48 4AT3 LTI 0.002863 0.45321 2.64151
49 3I0O ADP 0.0008389 0.45147 2.64151
50 5U6C 7YS 0.002055 0.44899 2.64151
51 5VC5 96M 0.00314 0.44829 2.64151
52 5GZ9 ANP 0.005133 0.43133 2.64151
53 4NM5 ADP 0.01816 0.43046 2.64151
54 4BKJ STI 0.00792 0.42527 2.64151
55 5IBE 69M 0.03321 0.407 2.64151
56 1GV0 NAD 0.03226 0.40125 2.64151
57 1XKQ NDP 0.03758 0.40115 2.64151
58 4IMG NGF 0.01835 0.40084 2.64151
59 1YBH FAD 0.04971 0.40054 2.64151
60 2AX9 BHM 0.04534 0.40266 2.73438
61 4WT2 3UD 0.02779 0.40211 2.85714
62 4Z4P SAH 0.004777 0.42327 3.01205
63 3TII ANP 0.00001125 0.53875 3.01887
64 4BFM ANP 0.00005191 0.52448 3.01887
65 3W0O ADP 0.0001405 0.51899 3.01887
66 3W0O HY0 0.0001405 0.51899 3.01887
67 2B9H ADP 0.00006914 0.51604 3.01887
68 2B9F ADP 0.00007613 0.51152 3.01887
69 2HGS ADP 0.0001714 0.50364 3.01887
70 5HCY 60D 0.0006647 0.50056 3.01887
71 1GSA ADP 0.0002165 0.49867 3.01887
72 1M0W ANP 0.0001296 0.49518 3.01887
73 2X2M X2M 0.0002882 0.49055 3.01887
74 3V4S ATP 0.0004676 0.48031 3.01887
75 3V4S ADP 0.001357 0.47633 3.01887
76 5KO1 6UY 0.0003714 0.47612 3.01887
77 5FBN 5WF 0.001907 0.46751 3.01887
78 2B9J ADP 0.0001127 0.46243 3.01887
79 5USZ SKE 0.002195 0.45604 3.01887
80 2RIO ADP 0.001267 0.45075 3.01887
81 3DAK ANP 0.001156 0.45023 3.01887
82 2B9I ADP 0.0001608 0.4479 3.01887
83 3HZT J60 0.001406 0.44101 3.01887
84 1ST0 GTG 0.01082 0.429 3.01887
85 4Y93 746 0.00801 0.42503 3.01887
86 1U1I NAD 0.03258 0.40542 3.01887
87 3Q60 ATP 0.01149 0.40506 3.01887
88 2ZB4 NAP 0.03801 0.40488 3.01887
89 3BL7 DD1 0.01123 0.40343 3.01887
90 2VSS V55 0.01071 0.40218 3.01887
91 2WEI VGG 0.01212 0.40185 3.01887
92 5JNN 6LM 0.01525 0.40964 3.15789
93 4JGP PYR 0.0005893 0.43518 3.22581
94 3AB4 THR 0.002147 0.43244 3.37079
95 2DTJ THR 0.002823 0.42689 3.37079
96 1WY7 SAH 0.01555 0.40766 3.38164
97 5JGA 6KC 0.0003561 0.50178 3.39623
98 2VN9 GVD 0.00007098 0.49437 3.39623
99 2YAB AMP 0.0002231 0.49153 3.39623
100 3DLS ADP 0.0001924 0.48706 3.39623
101 5EOB 5QQ 0.007924 0.45206 3.39623
102 3KRL KRL 0.002545 0.44446 3.39623
103 3C1X CKK 0.003477 0.43785 3.39623
104 4ZS4 ATP 0.003312 0.43506 3.39623
105 3PTG 932 0.001553 0.43288 3.39623
106 4WHZ 3NL 0.01821 0.4288 3.39623
107 5CEO 50D 0.007243 0.4167 3.39623
108 2VZ6 FEF 0.004001 0.41377 3.39623
109 2A42 ATP 0.01237 0.4092 3.39623
110 2A3Z ATP 0.01548 0.40444 3.39623
111 3PDT ADP 0.006374 0.40071 3.39623
112 4XV1 904 0.00189 0.46642 3.42466
113 4IX4 ADP 0.001281 0.45702 3.42857
114 1SG4 CO8 0.008503 0.42667 3.46154
115 4XBA GMP 0.00602 0.41398 3.5
116 4XBA 5GP 0.007422 0.41198 3.5
117 4FE2 ADP 0.005492 0.41585 3.52941
118 4QVX 3CQ 0.01164 0.41221 3.59281
119 5LXC 7AA 0.00007308 0.50694 3.77358
120 4BHN BH9 0.0002503 0.49138 3.77358
121 2ZV2 609 0.0001401 0.4877 3.77358
122 4TWP AXI 0.001321 0.48603 3.77358
123 3TKI S25 0.002025 0.48284 3.77358
124 5HES 032 0.0004821 0.47966 3.77358
125 2IO8 ADP 0.001081 0.46631 3.77358
126 3OFM 4B0 0.000885 0.45313 3.77358
127 1PK8 ATP 0.002578 0.44941 3.77358
128 1IOW PHY 0.005059 0.44589 3.77358
129 1IOW ADP 0.005059 0.44589 3.77358
130 3C0G 3AM 0.001368 0.44425 3.77358
131 1K3A ACP 0.001444 0.44313 3.77358
132 1OPK P16 0.005397 0.44069 3.77358
133 2HY0 306 0.001015 0.43959 3.77358
134 3AQV TAK 0.003035 0.43483 3.77358
135 4AUA 4AU 0.0032 0.43157 3.77358
136 4LOO SB4 0.004144 0.42834 3.77358
137 2GZ3 NAP 0.0238 0.42495 3.77358
138 1AUX AGS 0.001474 0.41512 3.77358
139 5DZT AMP 0.003693 0.40636 3.77358
140 3M2W L8I 0.00001449 0.537 4.15094
141 5IH9 6BF 0.0001782 0.52141 4.15094
142 2R85 AMP 0.0001403 0.52066 4.15094
143 1CM8 ANP 0.00004621 0.5192 4.15094
144 4G17 0VN 0.0000589 0.51137 4.15094
145 5K2M ADP 0.0003493 0.49045 4.15094
146 1OUK 084 0.006352 0.48011 4.15094
147 5JKG 6LF 0.00132 0.47941 4.15094
148 5MJA 7O3 0.0003505 0.47474 4.15094
149 4IDT T28 0.001566 0.44636 4.15094
150 2Z7R STU 0.00007866 0.44157 4.15094
151 5JFS 6K0 0.009209 0.438 4.15094
152 4CYI ATP 0.003689 0.43474 4.15094
153 1JXZ BCA 0.01081 0.42282 4.15094
154 1NZY BCA 0.01142 0.42163 4.15094
155 4I42 1HA 0.03912 0.41996 4.15094
156 4C5N ACP 0.01775 0.41685 4.15094
157 4C5N PXL 0.01867 0.41685 4.15094
158 4CC6 L5Y 0.005476 0.40721 4.15094
159 5JBE GLC GLC GLC GLC GLC 0.03949 0.40208 4.15094
160 3RE4 TO1 0.00001149 0.53832 4.26357
161 1ZTH ADP 0.00002983 0.51901 4.26357
162 1ZP9 ATP 0.00004963 0.51489 4.26357
163 4XH0 ADP 0.00007118 0.5199 4.5283
164 4YLL 4E3 0.0001048 0.51411 4.5283
165 5DEY 59T 0.0008487 0.50294 4.5283
166 5TO8 7FM 0.0005406 0.5006 4.5283
167 1V0O INR 0.0001577 0.4988 4.5283
168 5UOX 8GY 0.0002702 0.49191 4.5283
169 2JDR L20 0.002012 0.48551 4.5283
170 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.002012 0.48551 4.5283
171 3PE2 E1B 0.001502 0.48412 4.5283
172 5EW9 5VC 0.006056 0.48128 4.5283
173 3AKK ADP 0.0009877 0.4604 4.5283
174 5EFQ ADP 0.001117 0.45564 4.5283
175 5LPZ ADP 0.001456 0.45013 4.5283
176 5LPB ADP 0.0009754 0.44842 4.5283
177 5T8O 76Z 0.0000921 0.44635 4.5283
178 4OAV ACP 0.002036 0.44093 4.5283
179 4USF 6UI 0.005144 0.43296 4.5283
180 5LXM ADP 0.00328 0.43106 4.5283
181 2YRX AMP 0.0008456 0.43052 4.5283
182 4OH4 ANP 0.001895 0.4103 4.5283
183 1HG4 LPP 0.02371 0.40432 4.5283
184 2I7C AAT 0.03334 0.40385 4.5283
185 1V8B NAD 0.03903 0.40332 4.5283
186 2PT9 S4M 0.02488 0.40192 4.5283
187 2PT9 2MH 0.03994 0.40082 4.5283
188 4K5S FAD 0.03828 0.40074 4.5283
189 2BW7 APC 0.04322 0.41239 4.56621
190 5W4W 9WG 0.0001328 0.52187 4.90566
191 5A6N U7E 0.00006676 0.51677 4.90566
192 1RE8 BD2 0.0006341 0.50378 4.90566
193 1UNH IXM 0.0001567 0.48844 4.90566
194 2QCS ANP 0.0005404 0.48471 4.90566
195 5DMZ ADP 0.0005185 0.47161 4.90566
196 1Q8Y ADP 0.0006689 0.4707 4.90566
197 2XVD AS6 0.001201 0.47068 4.90566
198 3WO0 ALA 0.001998 0.47013 4.90566
199 3SXF BK5 0.001984 0.46664 4.90566
200 2Q7D ANP 0.00125 0.46663 4.90566
201 3ORK AGS 0.001259 0.46481 4.90566
202 5AWM ANP 0.0005101 0.46154 4.90566
203 1Q8Y ADE 0.0005931 0.45195 4.90566
204 4AU8 Z3R 0.001799 0.43601 4.90566
205 2OFV 242 0.008528 0.43545 4.90566
206 4EN4 ATP 0.01518 0.42571 4.90566
207 4EN4 GT0 0.01518 0.42571 4.90566
208 4EN4 GT1 0.01518 0.42571 4.90566
209 5BV3 M7G 0.005509 0.42439 4.90566
210 5TDF ADP 0.008372 0.41745 4.90566
211 3UIM ANP 0.01118 0.40762 4.90566
212 4KBA 1QM 0.00009915 0.40729 4.90566
213 3IDB ANP 0.0004943 0.48113 4.96894
214 4Q5H ANP 0.0001494 0.44504 5.17241
215 3FHI ANP 0.0004807 0.48723 5.19481
216 3LQV ADE 0.02729 0.40112 5.21739
217 2XK9 XK9 0.0002199 0.51674 5.28302
218 3WVR AMP 0.00004988 0.51479 5.28302
219 2X4Z X4Z 0.0002525 0.51226 5.28302
220 4GJ3 0XP 0.000664 0.48662 5.28302
221 4JDI ANP 0.0006062 0.47276 5.28302
222 1VJY 460 0.001562 0.46927 5.28302
223 4E1Z 0MX 0.001663 0.45532 5.28302
224 5C1P DAL DAL 0.003084 0.44556 5.28302
225 5C1P ADP 0.001512 0.4422 5.28302
226 3B2Q ATP 0.008229 0.42289 5.28302
227 2YW2 ATP 0.0005969 0.41556 5.28302
228 4Y2H 49K 0.04968 0.40055 5.28302
229 4WUJ FMN 0.01146 0.409 5.44218
230 3UDZ ADP 0.000003946 0.57595 5.47667
231 4H3Q ANP 0.00008825 0.51775 5.66038
232 5BVE 4VG 0.0005964 0.51715 5.66038
233 4QTB 38Z 0.0002479 0.50497 5.66038
234 2VQD AP2 0.0001599 0.50081 5.66038
235 4IJP 1EH 0.000169 0.49964 5.66038
236 3G5D 1N1 0.001589 0.49017 5.66038
237 4OTH DRN 0.0004023 0.48349 5.66038
238 4OCJ NDG 0.001497 0.47659 5.66038
239 3VHE 42Q 0.002122 0.45975 5.66038
240 5DXT 5H5 0.001185 0.45658 5.66038
241 5AX9 4KT 0.001388 0.45111 5.66038
242 4H3P ANP 0.001537 0.449 5.66038
243 3PLS ANP 0.001729 0.44431 5.66038
244 1Y57 MPZ 0.003087 0.44216 5.66038
245 4CSV STI 0.003421 0.43998 5.66038
246 2H8H H8H 0.007177 0.41689 5.66038
247 5HQ0 LZ9 0.0002004 0.49606 5.95238
248 5L8L ADP 0.001569 0.43879 5.98291
249 1XJD STU 0.0002444 0.48963 6.03774
250 3NW7 LGV 0.002144 0.47602 6.03774
251 4JR7 GNP 0.0005414 0.47071 6.03774
252 2F2U M77 0.0003901 0.46697 6.03774
253 1OBD ATP 0.0006327 0.45997 6.03774
254 4P5Z Q7M 0.006826 0.44264 6.03774
255 5C03 AGS 0.002853 0.43612 6.03774
256 3ORQ ADP 0.0006214 0.41644 6.03774
257 1AJ8 CIT 0.01264 0.40769 6.03774
258 3O0G 3O0 0.0007932 0.46043 6.04027
259 1HDC CBO 0.0145 0.40584 6.29921
260 5AAV GW5 0.03583 0.4182 6.34921
261 2PUL ACP 0.000004254 0.56851 6.41509
262 4WNP 3RJ 0.00008874 0.50004 6.41509
263 3V8S 0HD 0.000154 0.49432 6.41509
264 4ASE AV9 0.001088 0.47124 6.41509
265 4C2V YJA 0.002249 0.45848 6.41509
266 1PHK ATP 0.001196 0.45639 6.41509
267 3KN5 ANP 0.001168 0.44747 6.41509
268 5IQD GNP 0.007237 0.44023 6.41509
269 5IQD RIO 0.007599 0.44023 6.41509
270 5CUQ NSC 0.02265 0.41142 6.41509
271 2WTX UDP 0.02664 0.40996 6.41509
272 2WTX VDO 0.03546 0.40139 6.41509
273 3GC0 AMP 0.0006178 0.46046 6.68693
274 4GYI ADP 0.000004742 0.54173 6.79245
275 2YAK OSV 0.0002334 0.50792 6.79245
276 4Y0X ADP 0.00008698 0.50337 6.79245
277 2PZI AXX 0.00009146 0.48623 6.79245
278 4U44 3D9 0.0003353 0.48068 6.79245
279 5JZJ AN2 0.0002995 0.48056 6.79245
280 3GGF GVD 0.0006049 0.46354 6.79245
281 3E7O 35F 0.00253 0.45867 6.79245
282 1BYG STU 0.001154 0.45026 6.79245
283 5HX8 66P 0.003268 0.4459 6.79245
284 4KS7 X4Z 0.00002604 0.4452 6.79245
285 5BYZ 4WE 0.00474 0.44354 6.79245
286 4I54 1C1 0.005061 0.4421 6.79245
287 5IGI ZIT 0.03293 0.40719 6.79245
288 5IGI GMP 0.03152 0.40719 6.79245
289 4MV1 ADP 0.00005273 0.54375 6.83761
290 4PL8 ATP 0.01415 0.40635 6.84932
291 4F9C 0SX 0.0003031 0.48032 6.94444
292 3LOO B4P 0.038 0.40295 7.12329
293 4AXD ANP 0.00002313 0.56976 7.16981
294 3ETH ATP 0.0001368 0.5063 7.16981
295 5LI1 ANP 0.0002336 0.49499 7.16981
296 3MVH WFE 0.0004394 0.49412 7.16981
297 4CLI 5P8 0.002269 0.47274 7.16981
298 4WNK 453 0.001276 0.47086 7.16981
299 5LI9 ACP 0.00002898 0.46541 7.16981
300 2GQS ADP 0.0007101 0.46272 7.173
301 5D48 L96 0.02516 0.40168 7.23684
302 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 0.03121 0.40314 7.36842
303 4A4X JUP 0.000317 0.4962 7.54717
304 2R7K AMZ 0.0004593 0.49157 7.54717
305 2Y6O 1N1 0.0006542 0.47321 7.54717
306 2Q4H AMP 0.002842 0.45045 7.54717
307 1NBU PH2 0.004782 0.41868 7.56302
308 5DKK FMN 0.01437 0.40424 7.58621
309 3KMW ATP 0.002689 0.43518 7.75194
310 4Y8D 49J 0.0001441 0.49825 7.85714
311 1TQP ATP 0.000007491 0.57251 7.92453
312 4UAL 3FV 0.0000396 0.52512 7.92453
313 4CRL C1I 0.0003474 0.50378 7.92453
314 2HK5 1BM 0.0006441 0.47149 7.92453
315 2QF7 AGS 0.009903 0.42336 7.92453
316 4ME6 ADP 0.001807 0.42187 7.92453
317 5G1X ADP 0.0008142 0.45989 7.93651
318 3X01 AMP 0.000001069 0.61056 8.30189
319 5UR1 YY9 0.000576 0.50269 8.30189
320 3RI1 3RH 0.0003019 0.49726 8.30189
321 4OUC 5ID 0.0004874 0.46797 8.30189
322 2PVF ACP 0.0007412 0.46183 8.30189
323 4G31 0WH 0.002615 0.45925 8.30189
324 4K33 ACP 0.001328 0.45421 8.30189
325 3GQI ACP 0.001592 0.44827 8.30189
326 5M06 ADP 0.00161 0.44342 8.30189
327 4R78 AMP 0.004072 0.41541 8.30189
328 1ZUI SKM 0.03523 0.40365 8.33333
329 2IF8 ADP 0.000000000003704 0.78889 8.67924
330 3TXO 07U 0.00007334 0.50687 8.67924
331 5CKW ANP 0.0003064 0.47186 8.67924
332 5H2U 1N1 0.001259 0.45315 8.67924
333 5DA3 58V 0.008207 0.40523 8.67924
334 5VZ0 ADP 0.0002521 0.48413 9.0566
335 5MY8 RXZ 0.0005781 0.4815 9.0566
336 4Y85 499 0.00256 0.43619 9.0566
337 4EFH ADP 0.01331 0.40397 9.09091
338 4U98 ACP 0.00007089 0.51036 9.43396
339 5VLQ ANP 0.0000001115 0.49609 9.43396
340 5TA6 79D 0.0005946 0.48433 9.43396
341 5FI4 5XV 0.0008963 0.47032 9.43396
342 4XYM A12 0.001447 0.4524 9.43396
343 4BCQ TJF 0.001212 0.44402 9.43396
344 4CFU 2WC 0.0005533 0.44345 9.43396
345 4BCN T9N 0.001151 0.43819 9.43396
346 2XMY CDK 0.01916 0.43761 9.43396
347 5LMK 6ZK 0.007171 0.41269 9.43396
348 4BCM T7Z 0.004636 0.4083 9.43396
349 4WW7 AMP 0.00001447 0.55382 9.62567
350 2E56 MYR 0.02467 0.40721 9.72222
351 3E8N VRA 0.0007325 0.49944 9.81132
352 3E8N ATP 0.0007325 0.49944 9.81132
353 2V7O DRN 0.00006067 0.49769 9.81132
354 3VOT ADP 0.000287 0.47318 9.81132
355 3KRR DQX 0.004547 0.47095 9.81132
356 4DFU QUE 0.0007439 0.46585 9.81132
357 5C4L 4XR 0.002863 0.4546 9.81132
358 2WQN ADP 0.002803 0.41886 9.81132
359 3ZS7 ATP 0.01033 0.41641 9.81132
360 3K5I ADP 0.001259 0.40669 9.81132
361 1I7A PHE 0.000778 0.43143 9.90991
362 4CS9 AMP 0.0001954 0.40011 10.0529
363 4O1P ANP 0.00098 0.45836 10.1887
364 1EHI ADP 0.005087 0.42606 10.1887
365 4YSX FAD 0.04501 0.4037 10.2564
366 5LXT ACP 0.0001023 0.51462 10.4895
367 3SRV S19 0.0003128 0.47967 10.566
368 4D2S DYK 0.0003647 0.47121 10.566
369 4EUU BX7 0.001062 0.47014 10.566
370 4F4P 0SB 0.004394 0.46886 10.566
371 2J7T 274 0.001831 0.46297 10.566
372 4DC2 ADE 0.0001257 0.44999 10.566
373 3VPC ADP 0.0001314 0.43325 10.566
374 3HMO STU 0.0008482 0.42662 10.566
375 3FHR P4O 0.0004592 0.4248 10.566
376 3VPB ADP 0.00009347 0.42084 10.7143
377 2DT9 THR 0.00639 0.40492 10.7784
378 4ANW O92 0.001062 0.47776 10.9434
379 3H9R TAK 0.008433 0.40097 11.0092
380 4OCV ANP 0.0005663 0.47204 11.3208
381 1I7L ATP 0.002538 0.44807 11.3208
382 4NST ADP 0.001621 0.44789 11.3208
383 5DRB 5FJ 0.03231 0.4139 11.3208
384 2GQR ADP 0.0003576 0.4769 11.3924
385 4XLI 1N1 0.0001983 0.48909 11.6981
386 5N87 N66 0.0007835 0.48853 11.6981
387 2QK4 ATP 0.0003586 0.46165 11.6981
388 2PYW ADP 0.00000587 0.57033 12.0755
389 4FG8 ATP 0.001342 0.45604 12.0755
390 4BTK DTQ 0.0001718 0.49459 12.4528
391 2A19 ANP 0.0006213 0.45755 12.4528
392 4NFN 2KC 0.0007968 0.43229 12.4528
393 4UX9 ANP 0.000382 0.42101 12.4528
394 2A40 ATP 0.0153 0.40469 12.5
395 1T36 ADP 0.0008428 0.47678 12.8302
396 5UKL SIX 0.002172 0.45627 12.9032
397 4L9I 8PR 0.00211 0.4402 13.2075
398 3PN1 IVH 0.006136 0.40039 13.5849
399 1CBK ROI 0.002233 0.40957 13.75
400 5X8I SQZ 0.0001017 0.5055 13.9623
401 5DH3 5BS 0.002926 0.43963 13.9623
402 2WU6 DKI 0.0001981 0.41823 13.9623
403 4X7Q 3YR 0.0004676 0.43173 14.3396
404 4ZGP ADP 0.002584 0.436 14.717
405 5DBX ANP 0.008223 0.4076 14.717
406 3LXK MI1 0.002541 0.45288 15.0943
407 4IZY 1J2 0.0006459 0.40813 15.0943
408 4YZC STU 0.0007977 0.48941 15.8491
409 1S68 AMP 0.004594 0.40188 16.4659
410 3IGO ANP 0.0006181 0.40825 16.6038
411 5NCY 8TK 0.0006762 0.48472 17.3585
412 3VPD ANP 0.0001216 0.50879 17.7358
413 1TMM HHR 0.01891 0.41871 18.3544
414 1TMM APC 0.01979 0.41871 18.3544
415 2BKK ADP 0.0007634 0.45615 19.3182
416 3CY2 MB9 0.000594 0.47722 20
417 4N70 2HX 0.004253 0.46224 20
418 1QY1 PRZ 0.008473 0.41896 20.3774
419 2WEL K88 0.0002704 0.45366 22
420 5EYK 5U5 0.0006836 0.48131 30.5085
421 4C2W ANP 0.0009088 0.44985 34.6154
422 5W2I I3P 0.000000002934 0.74006 40.4669
423 5W2I ADP 0.000000002934 0.74006 40.4669
424 4O4F ATP 0.000000005153 0.73099 45.5645
425 4O4F IHP 0.000000005881 0.73099 45.5645
Pocket No.: 2; Query (leader) PDB : 1W2D; Ligand: 4IP; Similar sites found: 119
This union binding pocket(no: 2) in the query (biounit: 1w2d.bio2) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GU8 796 0.003156 0.42823 1.88679
2 4QEK GLC 0.01436 0.4232 1.88679
3 4YZN 4K5 0.0004986 0.41571 1.88679
4 4UWH JXM 0.0008436 0.46793 2.26415
5 5MW8 ATP 0.00007324 0.44379 2.26415
6 4E93 GUI 0.0006249 0.43531 2.26415
7 1IA9 ANP 0.003643 0.42582 2.26415
8 2CSN CKI 0.0007193 0.42116 2.26415
9 3HAV ATP 0.0008699 0.41866 2.26415
10 4CQE CQE 0.006911 0.40691 2.26415
11 3TPV ADE 0.009739 0.40665 2.26415
12 4AZW ATP 0.0007153 0.40314 2.26415
13 2VPQ ANP 0.001339 0.40015 2.26415
14 3QCQ 3Q0 0.01858 0.41061 2.5641
15 1O9U ADZ 0.0002973 0.51933 2.64151
16 5HVJ ANP 0.003318 0.46026 2.64151
17 5I35 ANP 0.0001155 0.41206 2.64151
18 4WB6 ATP 0.001499 0.40955 2.64151
19 3GC8 B45 0.006814 0.40717 2.64151
20 4NM5 ADP 0.0008898 0.40511 2.64151
21 4WB7 ATP 0.005109 0.40326 2.64151
22 3F7Z 34O 0.0004494 0.40151 2.64151
23 2B9J ADP 0.0007247 0.46623 3.01887
24 3W0O ADP 0.0001469 0.45669 3.01887
25 3W0O HY0 0.0001469 0.45669 3.01887
26 2B9I ADP 0.001192 0.45174 3.01887
27 5HCY 60D 0.003295 0.41848 3.01887
28 3TII ANP 0.00003945 0.41462 3.01887
29 4BFM ANP 0.0005757 0.40511 3.01887
30 2DTJ THR 0.008975 0.42689 3.37079
31 3ZH4 FLC 0.01743 0.42891 3.39623
32 2VZ6 FEF 0.01235 0.41592 3.39623
33 3PDT ADP 0.02134 0.40071 3.39623
34 2ZV2 609 0.0005487 0.4877 3.77358
35 2HY0 306 0.004064 0.43959 3.77358
36 4TWP AXI 0.008256 0.41702 3.77358
37 1AUX AGS 0.007083 0.41631 3.77358
38 2Z7R STU 0.000783 0.44764 4.15094
39 2R85 AMP 0.0005645 0.43557 4.15094
40 1CM8 ANP 0.0001287 0.41355 4.15094
41 3M2W L8I 0.00008603 0.40644 4.15094
42 5IH9 6BF 0.004912 0.40394 4.15094
43 3RE4 TO1 0.00003366 0.42696 4.26357
44 4XH0 ADP 0.0002629 0.5199 4.5283
45 5T8O 76Z 0.001027 0.44644 4.5283
46 4OH4 ANP 0.002139 0.44013 4.5283
47 2JDR L20 0.003139 0.42913 4.5283
48 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.003139 0.42913 4.5283
49 3PE2 E1B 0.003231 0.42078 4.5283
50 4YLL 4E3 0.001047 0.40282 4.5283
51 4IAW LIZ 0.02842 0.40163 4.78723
52 1RE8 BD2 0.0008689 0.44415 4.90566
53 4AU8 Z3R 0.005906 0.43601 4.90566
54 2QCS ANP 0.001499 0.40946 4.90566
55 4KBA 1QM 0.003115 0.40659 4.90566
56 2Q7D ANP 0.004131 0.40451 4.90566
57 5A6N U7E 0.0005702 0.40357 4.90566
58 3IDB ANP 0.001004 0.40576 4.96894
59 4Q5H ANP 0.0008613 0.4582 5.17241
60 3FHI ANP 0.001439 0.41001 5.19481
61 2YW2 ATP 0.00407 0.42017 5.28302
62 3WVR AMP 0.0001886 0.40211 5.28302
63 3UDZ ADP 0.00009596 0.421 5.47667
64 2OVD DAO 0.04403 0.40063 5.49451
65 4OCJ NDG 0.002387 0.41875 5.66038
66 4H3Q ANP 0.0006054 0.41288 5.66038
67 5BVE 4VG 0.009333 0.41206 5.66038
68 3G5D 1N1 0.01026 0.40671 5.66038
69 3ALN ANP 0.008465 0.40617 5.66038
70 2F2U M77 0.001229 0.47017 6.03774
71 3ORQ ADP 0.00502 0.41616 6.03774
72 1AJ8 CIT 0.03327 0.40769 6.03774
73 4JR7 GNP 0.0003907 0.40517 6.03774
74 2PUL ACP 0.00004591 0.42229 6.41509
75 5IQD RIO 0.003389 0.41267 6.41509
76 5IQD GNP 0.004054 0.40842 6.41509
77 1JGS SAL 0.028 0.40143 6.52174
78 4GYI ADP 0.00002861 0.5448 6.79245
79 2PZI AXX 0.0004521 0.48623 6.79245
80 4KS7 X4Z 0.0007868 0.44376 6.79245
81 2YAK OSV 0.002002 0.41274 6.79245
82 4MV1 ADP 0.0009356 0.42846 6.83761
83 5LI9 ACP 0.0004138 0.46815 7.16981
84 4AXD ANP 0.0002009 0.4617 7.16981
85 1TQP ATP 0.00007423 0.44779 7.92453
86 3SLS ANP 0.005581 0.41091 7.92453
87 3X01 AMP 0.000005154 0.61056 8.30189
88 2IF8 ADP 0.000000000003021 0.55246 8.67924
89 4CFU 2WC 0.002401 0.44623 9.43396
90 4BCN T9N 0.00411 0.43935 9.43396
91 4WW7 AMP 0.0003509 0.41444 9.62567
92 4DFU QUE 0.002442 0.46585 9.81132
93 2WQN ADP 0.01076 0.41886 9.81132
94 3E8N ATP 0.003566 0.41806 9.81132
95 3E8N VRA 0.003566 0.41806 9.81132
96 5C4L 4XR 0.002032 0.41391 9.81132
97 3KRR DQX 0.01085 0.41062 9.81132
98 3K5I ADP 0.009544 0.40388 9.81132
99 1I7A PHE 0.001955 0.43236 9.90991
100 5LXT ACP 0.0001477 0.43686 10.4895
101 3VPC ADP 0.001669 0.43349 10.566
102 3HMO STU 0.005097 0.42662 10.566
103 3FHR P4O 0.003889 0.42455 10.566
104 4F4P 0SB 0.0122 0.40572 10.566
105 3VPB ADP 0.002026 0.41993 10.7143
106 2PYW ADP 0.0001183 0.42615 12.0755
107 2A19 ANP 0.002074 0.45879 12.4528
108 4UX9 ANP 0.001455 0.43979 12.4528
109 4NFN 2KC 0.003833 0.43241 12.4528
110 2WU6 DKI 0.004012 0.41389 13.9623
111 4X7Q 3YR 0.004028 0.42754 14.3396
112 4IZY 1J2 0.008335 0.40647 15.0943
113 3IGO ANP 0.007112 0.40637 16.6038
114 3VPD ANP 0.0007661 0.4067 17.7358
115 4N70 2HX 0.002769 0.42542 20
116 5W2I I3P 0.000000002504 0.60957 40.4669
117 5W2I ADP 0.000000002504 0.60957 40.4669
118 4O4F IHP 0.000000007148 0.60678 45.5645
119 4O4F ATP 0.000000009204 0.5952 45.5645
Pocket No.: 3; Query (leader) PDB : 1W2D; Ligand: ADP; Similar sites found: 23
This union binding pocket(no: 3) in the query (biounit: 1w2d.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1T0I FMN 0.01552 0.40262 2.6178
2 1O44 852 0.0259 0.41362 2.77778
3 4R38 RBF 0.01561 0.40427 2.85714
4 1XON PIL 0.02795 0.40199 3.01887
5 4PIO SAH 0.02853 0.40842 3.39623
6 1DTL BEP 0.006239 0.41325 3.72671
7 3IAA TYD 0.0185 0.40067 3.77358
8 4QJP V1F 0.01918 0.40617 3.80228
9 1DUB CAA 0.04817 0.41555 3.83142
10 3CMC NAD 0.04422 0.4199 4.15094
11 5MEX SZZ 0.03607 0.40512 4.15094
12 2E2R 2OH 0.02488 0.41149 4.5082
13 3CIF G3H 0.02054 0.41685 4.5283
14 1LOX RS7 0.004172 0.42608 4.90566
15 5OO5 UUA 0.01442 0.40033 5.64516
16 4JD3 PLM 0.03545 0.41175 5.66038
17 4JD3 COA 0.0342 0.41175 5.66038
18 3ALN ANP 0.004724 0.40091 5.66038
19 4WOV 3SM 0.009114 0.40549 6.03774
20 2QE4 JJ3 0.0416 0.41259 6.45161
21 5ND5 TPP 0.01679 0.40757 6.79245
22 2FH5 GTP 0.0431 0.40721 9.34579
23 5EB4 FAD 0.04842 0.40202 9.43396
Pocket No.: 4; Query (leader) PDB : 1W2D; Ligand: 4IP; Similar sites found: 41
This union binding pocket(no: 4) in the query (biounit: 1w2d.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RW3 PLM 0.04622 0.41317 1.13208
2 4QMN DB8 0.004422 0.41108 1.88679
3 4L3L 5FI 0.004309 0.40517 1.88679
4 2R5T ANP 0.001041 0.40977 2.26415
5 1M0W ANP 0.0001977 0.41629 3.01887
6 2B9H ADP 0.0004023 0.41599 3.01887
7 2B9F ADP 0.0003017 0.41393 3.01887
8 2HGS ADP 0.001851 0.40475 3.01887
9 3V4S ADP 0.006678 0.40372 3.01887
10 1GSA ADP 0.002396 0.4002 3.01887
11 2YAB AMP 0.001013 0.40397 3.39623
12 4BHN BH9 0.00142 0.40069 3.77358
13 1OUK 084 0.03778 0.40644 4.15094
14 1ZTH ADP 0.0001177 0.40172 4.26357
15 1ZP9 ATP 0.0003211 0.4 4.26357
16 1V0O INR 0.0008778 0.40396 4.5283
17 5EW9 5VC 0.04786 0.40156 4.5283
18 5DEY 59T 0.01676 0.40076 4.5283
19 5W4W 9WG 0.003674 0.40932 4.90566
20 3LQV ADE 0.04338 0.40268 5.21739
21 2X4Z X4Z 0.00539 0.40637 5.28302
22 1VJY 460 0.004999 0.40522 5.28302
23 2XK9 XK9 0.006177 0.40511 5.28302
24 4QTB 38Z 0.003599 0.4069 5.66038
25 1PHK ATP 0.0005102 0.41246 6.41509
26 4WNP 3RJ 0.0004524 0.40599 6.41509
27 3KN5 ANP 0.0005014 0.4056 6.41509
28 3RV5 DXC 0.005116 0.47883 6.74157
29 5IGI ZIT 0.005886 0.40823 6.79245
30 5IGI GMP 0.006398 0.40562 6.79245
31 3MVH WFE 0.004123 0.40595 7.16981
32 3ETH ATP 0.001574 0.40258 7.16981
33 2R7K AMZ 0.004233 0.40408 7.54717
34 4UAL 3FV 0.0004453 0.41001 7.92453
35 5UR1 YY9 0.01132 0.40044 8.30189
36 4U98 ACP 0.0005262 0.40272 9.43396
37 2WA4 069 0.02004 0.40289 10.1887
38 4FG8 ATP 0.001376 0.40195 12.0755
39 4BTK DTQ 0.0007344 0.40555 12.4528
40 5X8I SQZ 0.0007563 0.40221 13.9623
41 3CY2 MB9 0.001243 0.41148 20
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