Receptor
PDB id Resolution Class Description Source Keywords
2AQX 2.5 Å EC: 2.7.1.127 CRYSTAL STRUCTURE OF THE CATALYTIC AND CAM-BINDING DOMAINS O 1,4,5-TRISPHOSPHATE 3-KINASE B MUS MUSCULUS IP3K ITPKB IP3-3K IP3-3KB INOSITOL KINASE IP3 CALMODUBINDING TRANSFERASE
Ref.: STRUCTURAL INSIGHTS INTO ENZYME REGULATION FOR INOS 1,4,5-TRISPHOSPHATE 3-KINASE B BIOCHEMISTRY V. 44 14486 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:1462;
B:2462;
Valid;
Valid;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
MG A:600;
A:601;
B:1600;
B:1601;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AQX 2.5 Å EC: 2.7.1.127 CRYSTAL STRUCTURE OF THE CATALYTIC AND CAM-BINDING DOMAINS O 1,4,5-TRISPHOSPHATE 3-KINASE B MUS MUSCULUS IP3K ITPKB IP3-3K IP3-3KB INOSITOL KINASE IP3 CALMODUBINDING TRANSFERASE
Ref.: STRUCTURAL INSIGHTS INTO ENZYME REGULATION FOR INOS 1,4,5-TRISPHOSPHATE 3-KINASE B BIOCHEMISTRY V. 44 14486 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 2AQX - ATP C10 H16 N5 O13 P3 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: ATP; Similar ligands found: 404
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP 1 1
2 AQP 0.985507 1
3 5FA 0.985507 1
4 B4P 0.927536 0.971831
5 AP5 0.927536 0.971831
6 BA3 0.913043 0.971831
7 ADP 0.9 1
8 A2D 0.884058 0.971831
9 SAP 0.84 0.945946
10 AGS 0.84 0.945946
11 AN2 0.810811 0.985915
12 25L 0.809524 0.985915
13 APR 0.802632 0.971831
14 AR6 0.802632 0.971831
15 M33 0.8 0.958333
16 TAT 0.794872 0.958904
17 ACQ 0.794872 0.972222
18 AD9 0.792208 0.972222
19 ACP 0.789474 0.972222
20 A 0.788732 0.971429
21 AMP 0.788732 0.971429
22 ANP 0.772152 0.972222
23 ADX 0.753247 0.873418
24 CA0 0.753247 0.945205
25 A22 0.746988 0.985915
26 50T 0.74359 0.958333
27 APC 0.734177 0.958904
28 PRX 0.734177 0.893333
29 ABM 0.733333 0.917808
30 ATF 0.731707 0.958904
31 ITT 0.730769 0.943662
32 7D4 0.730769 0.905405
33 ADQ 0.729412 0.945205
34 AMP MG 0.72 0.891892
35 AP2 0.714286 0.958904
36 A12 0.714286 0.958904
37 A1R 0.709302 0.907895
38 SRA 0.706667 0.918919
39 5AL 0.698795 0.931507
40 OAD 0.693182 0.945205
41 ADP MG 0.6875 0.905405
42 AU1 0.6875 0.972222
43 SRP 0.682353 0.906667
44 G5P 0.680851 0.921053
45 BEF ADP 0.679012 0.881579
46 ADP BEF 0.679012 0.881579
47 25A 0.678161 0.971831
48 3OD 0.677778 0.945205
49 4AD 0.670455 0.92
50 G3A 0.670213 0.921053
51 00A 0.662921 0.883117
52 ADV 0.662651 0.932432
53 ADP PO3 0.662651 0.943662
54 RBY 0.662651 0.932432
55 BIS 0.659341 0.933333
56 5SV 0.659091 0.848101
57 8QN 0.659091 0.931507
58 OOB 0.659091 0.931507
59 GTA 0.65625 0.886076
60 ATP MG 0.654762 0.905405
61 UP5 0.653061 0.92
62 AMO 0.651685 0.932432
63 PAJ 0.651685 0.884615
64 2A5 0.650602 0.918919
65 MAP 0.647727 0.945946
66 3AT 0.647059 0.971831
67 AHX 0.644444 0.896104
68 DLL 0.644444 0.931507
69 PAP 0.642857 0.985714
70 ATR 0.642857 0.971429
71 PTJ 0.641304 0.896104
72 7D3 0.6375 0.905405
73 3UK 0.637363 0.918919
74 SON 0.634146 0.932432
75 A4P 0.633663 0.843373
76 ALF ADP 0.632184 0.87013
77 ADP ALF 0.632184 0.87013
78 LAD 0.630435 0.860759
79 WAQ 0.630435 0.883117
80 PR8 0.630435 0.85
81 AFH 0.628866 0.884615
82 DTP 0.627907 0.905405
83 GAP 0.627907 0.893333
84 ANP MG 0.625 0.894737
85 VO4 ADP 0.625 0.931507
86 ADP VO4 0.625 0.931507
87 1ZZ 0.623656 0.839506
88 TXA 0.623656 0.932432
89 FYA 0.623656 0.905405
90 ME8 0.623656 0.839506
91 NB8 0.623656 0.896104
92 T5A 0.621359 0.841463
93 RAB 0.619718 0.84507
94 ADN 0.619718 0.84507
95 XYA 0.619718 0.84507
96 9SN 0.610526 0.871795
97 48N 0.61 0.896104
98 AP0 0.607843 0.896104
99 FA5 0.604167 0.906667
100 YAP 0.604167 0.894737
101 TXD 0.60396 0.907895
102 6V0 0.60396 0.896104
103 NXX 0.60396 0.932432
104 NAI 0.60396 0.907895
105 DND 0.60396 0.932432
106 NAX 0.60396 0.873418
107 ADP BMA 0.602151 0.918919
108 A2R 0.6 0.985915
109 OMR 0.598039 0.851852
110 TXE 0.598039 0.907895
111 XAH 0.597938 0.839506
112 DAL AMP 0.593407 0.905405
113 7DT 0.593023 0.985714
114 AOC 0.592593 0.821918
115 4UV 0.591837 0.894737
116 DDS 0.590909 0.878378
117 139 0.590476 0.873418
118 CNA 0.584906 0.932432
119 6AD 0.58427 0.909091
120 5AS 0.583333 0.77907
121 5N5 0.581081 0.819444
122 4UU 0.58 0.894737
123 4TC 0.576923 0.896104
124 ADJ 0.575472 0.851852
125 5CD 0.573333 0.805556
126 A4D 0.573333 0.819444
127 RGT 0.571429 0.958904
128 A3P 0.571429 0.971429
129 7D5 0.56962 0.878378
130 LAQ 0.568627 0.839506
131 YLP 0.563107 0.819277
132 A A 0.5625 0.944444
133 UPA 0.561905 0.907895
134 AV2 0.56044 0.917808
135 COD 0.559633 0.811765
136 4UW 0.557692 0.860759
137 JB6 0.556701 0.883117
138 3AM 0.555556 0.929577
139 ATP A A A 0.555556 0.930556
140 A2P 0.552941 0.957143
141 TYM 0.552381 0.906667
142 NA7 0.552083 0.958904
143 EP4 0.551282 0.753247
144 MYR AMP 0.55102 0.817073
145 PPS 0.549451 0.873418
146 YLB 0.54717 0.819277
147 YLC 0.54717 0.839506
148 NAD 0.545455 0.931507
149 DAT 0.545455 0.905405
150 G5A 0.544444 0.77907
151 M2T 0.544304 0.734177
152 DTA 0.544304 0.786667
153 3DH 0.54321 0.773333
154 128 0.542857 0.776471
155 AHZ 0.538462 0.817073
156 SSA 0.537634 0.8
157 GTP 0.537634 0.92
158 MTA 0.5375 0.773333
159 IOT 0.537037 0.831325
160 A3D 0.535714 0.918919
161 TYR AMP 0.534653 0.881579
162 AR6 AR6 0.533981 0.917808
163 7MD 0.533981 0.8625
164 YLA 0.53211 0.819277
165 AMP DBH 0.529412 0.893333
166 IMO 0.529412 0.929577
167 TAD 0.528846 0.884615
168 AYB 0.527273 0.809524
169 A5A 0.526882 0.807229
170 TSB 0.526316 0.819277
171 EAD 0.525424 0.873418
172 2AM 0.52439 0.943662
173 6RE 0.52381 0.759494
174 7DD 0.522727 0.985714
175 V3L 0.521739 0.971831
176 AVV 0.520833 0.896104
177 BTX 0.517857 0.841463
178 NAE 0.517241 0.894737
179 54H 0.515789 0.788235
180 VMS 0.515789 0.788235
181 52H 0.515789 0.77907
182 NSS 0.515464 0.8
183 BT5 0.513274 0.831325
184 NAQ 0.512821 0.871795
185 ZAS 0.511905 0.766234
186 A3N 0.511628 0.786667
187 J7C 0.511628 0.769231
188 5X8 0.511111 0.763158
189 53H 0.510417 0.77907
190 5CA 0.510417 0.8
191 ARU 0.510204 0.860759
192 ARG AMP 0.509434 0.829268
193 AF3 ADP 3PG 0.509259 0.8375
194 LA8 ALF 3PG 0.509259 0.8375
195 ALF ADP 3PG 0.509259 0.8375
196 ZID 0.508475 0.918919
197 P1H 0.508197 0.851852
198 OVE 0.505882 0.905405
199 S4M 0.505747 0.666667
200 LPA AMP 0.504673 0.817073
201 7MC 0.504587 0.841463
202 DZD 0.5 0.884615
203 LSS 0.5 0.761364
204 DSZ 0.5 0.8
205 P5A 0.5 0.744444
206 DSH 0.5 0.725
207 FB0 0.5 0.804598
208 MAO 0.5 0.759036
209 NDE 0.495935 0.932432
210 N0B 0.495798 0.819277
211 M24 0.495726 0.85
212 YLY 0.495726 0.809524
213 NJP 0.495575 0.945946
214 NVA LMS 0.494949 0.761364
215 MGP 0.494737 0.884615
216 6C6 0.494624 0.881579
217 NAJ PZO 0.491379 0.848101
218 0WD 0.491228 0.921053
219 LEU LMS 0.49 0.761364
220 6G0 0.489583 0.884615
221 GJV 0.488636 0.75
222 6FA 0.488189 0.841463
223 5AD 0.486842 0.746479
224 GSU 0.485149 0.77907
225 KAA 0.485149 0.752809
226 71V 0.483146 0.907895
227 NEC 0.482759 0.746667
228 A3G 0.482759 0.8
229 NAD IBO 0.482456 0.87013
230 ODP 0.482456 0.909091
231 FAS 0.48062 0.851852
232 FAD 0.48062 0.851852
233 7D7 0.480519 0.743243
234 FDA 0.480315 0.833333
235 N6P 0.48 0.915493
236 2SA 0.479167 0.932432
237 GP3 0.478723 0.921053
238 4TA 0.478261 0.807229
239 G A A A 0.478261 0.871795
240 SFG 0.478261 0.75
241 NPW 0.477876 0.886076
242 NDP 0.477876 0.921053
243 NDC 0.47619 0.871795
244 YSA 0.47619 0.77907
245 MGO 0.474227 0.860759
246 6IA 0.473684 0.8375
247 TXP 0.473684 0.921053
248 GDP 0.473684 0.92
249 NZQ 0.473684 0.909091
250 A7D 0.472527 0.776316
251 SFD 0.469231 0.734043
252 ZDA 0.468085 0.864865
253 SA8 0.468085 0.707317
254 A5D 0.468085 0.786667
255 12D 0.46789 0.785714
256 PGS 0.467391 0.883117
257 MHZ 0.467391 0.697674
258 62F 0.466165 0.8625
259 DA 0.465909 0.878378
260 D5M 0.465909 0.878378
261 GGZ 0.464646 0.825
262 SAH 0.463158 0.74359
263 SAI 0.463158 0.734177
264 NAJ PYZ 0.46281 0.85
265 FAY 0.462687 0.8625
266 Y3J 0.4625 0.726027
267 PO4 PO4 A A A A PO4 0.460784 0.902778
268 AAM 0.460674 0.971429
269 RFL 0.459259 0.821429
270 SMM 0.459184 0.686047
271 AMZ 0.458824 0.916667
272 C2R 0.458824 0.90411
273 SAM 0.458333 0.690476
274 A3S 0.456522 0.810811
275 FNK 0.455224 0.804598
276 7C5 0.453704 0.818182
277 AAT 0.453608 0.707317
278 EEM 0.453608 0.690476
279 XNP 0.452991 0.873418
280 AIR 0.451219 0.901408
281 62X 0.45098 0.666667
282 GSP 0.45 0.873418
283 ETB 0.45 0.833333
284 DCA 0.45 0.823529
285 U A G G 0.449153 0.883117
286 NIA 0.448276 0.822785
287 AMP NAD 0.447154 0.881579
288 A3T 0.446809 0.821918
289 K15 0.446602 0.682353
290 A A A 0.446602 0.905405
291 PUA 0.446281 0.884615
292 6K6 0.445545 0.930556
293 GEK 0.445545 0.7375
294 4YB 0.445455 0.761364
295 S7M 0.444444 0.690476
296 DG1 0.443548 0.921053
297 1DG 0.443548 0.921053
298 Z5A 0.443548 0.77907
299 COA 0.442623 0.823529
300 0T1 0.442623 0.823529
301 WSA 0.442478 0.788235
302 8BR 0.43956 0.906667
303 101 0.438202 0.878378
304 IDP 0.4375 0.918919
305 NAP 0.435484 0.945205
306 APU 0.434783 0.894737
307 A U 0.434783 0.87013
308 7RP 0.433333 0.928571
309 A6D 0.432692 0.722892
310 CAO 0.432 0.795455
311 AMX 0.432 0.833333
312 COS 0.432 0.804598
313 TAP 0.432 0.907895
314 J7V 0.432 0.833333
315 30N 0.432 0.752688
316 V1N 0.431193 0.917808
317 649 0.429825 0.744444
318 P5F 0.429577 0.823529
319 NA0 0.428571 0.932432
320 CMX 0.428571 0.823529
321 7RA 0.428571 0.957747
322 SCO 0.428571 0.823529
323 0UM 0.427184 0.698795
324 GAV 0.427184 0.884615
325 ACK 0.426966 0.861111
326 1RB 0.426966 0.885714
327 QQY 0.426966 0.815789
328 GCP 0.425743 0.896104
329 G1R 0.425743 0.907895
330 FAM 0.425197 0.804598
331 FCX 0.425197 0.795455
332 ACO 0.425197 0.795455
333 GNH 0.424242 0.907895
334 F2N 0.423611 0.813953
335 GDC 0.422018 0.884615
336 GDD 0.422018 0.884615
337 GKE 0.422018 0.884615
338 HAX 0.421875 0.804598
339 3AD 0.421687 0.805556
340 GNP 0.421569 0.896104
341 FA9 0.42069 0.864198
342 KB1 0.420561 0.698795
343 TM1 0.420561 0.77381
344 H6Y 0.42 0.945205
345 2MC 0.419847 0.769231
346 3KK 0.418605 0.804598
347 FYN 0.418605 0.823529
348 S8M 0.417476 0.759494
349 2VA 0.416667 0.8
350 NHD 0.416667 0.905405
351 26A 0.416667 0.763158
352 QQX 0.41573 0.805195
353 SOP 0.415385 0.804598
354 OXK 0.415385 0.804598
355 COK 0.415385 0.804598
356 MCD 0.415385 0.804598
357 CA6 0.415385 0.729167
358 YE1 0.413534 0.813953
359 FAI 0.413043 0.916667
360 AS 0.413043 0.833333
361 RMB 0.413043 0.873239
362 1VU 0.412214 0.795455
363 CO6 0.412214 0.804598
364 CMC 0.412214 0.804598
365 NMX 0.412214 0.76087
366 SXZ 0.411215 0.710843
367 ANZ 0.410714 0.8
368 SCA 0.410448 0.804598
369 PLP AAD 0.409836 0.741573
370 SCD 0.409091 0.823529
371 CAJ 0.409091 0.804598
372 NAD BBN 0.408759 0.841463
373 NVA 2AD 0.408163 0.74359
374 D3Y 0.407767 0.789474
375 CC5 0.407407 0.816901
376 U G A 0.407407 0.839506
377 KH3 0.40708 0.674419
378 SLU 0.406504 0.770115
379 G 0.40625 0.906667
380 5GP 0.40625 0.906667
381 BCO 0.406015 0.804598
382 IVC 0.406015 0.813953
383 A1S 0.406015 0.804598
384 MLC 0.406015 0.804598
385 3HC 0.406015 0.813953
386 1HE 0.406015 0.786517
387 GTG 0.405405 0.886076
388 NMN AMP PO4 0.404959 0.87013
389 3D1 0.404762 0.773333
390 3L1 0.404762 0.773333
391 CMP 0.404255 0.901408
392 2BA 0.404255 0.915493
393 SO8 0.40404 0.789474
394 VRT 0.40404 0.769231
395 MCA 0.402985 0.795455
396 CAA 0.402985 0.813953
397 COO 0.402985 0.804598
398 NAD CJ3 0.402878 0.811765
399 G2R 0.401869 0.884615
400 3NZ 0.401869 0.782051
401 ZZB 0.4 0.77381
402 MC4 0.4 0.76087
403 2FA 0.4 0.813333
404 2CP 0.4 0.795455
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AQX; Ligand: ATP; Similar sites found: 262
This union binding pocket(no: 1) in the query (biounit: 2aqx.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RJD TFP 0.004649 0.44159 None
2 5BVE 4VG 0.003843 0.44601 1.03806
3 3VPC ADP 0.0001317 0.46934 1.06383
4 3VPB ADP 0.00008568 0.45697 1.06383
5 3OQJ 3CX 0.01531 0.41493 1.16732
6 4L3L 5FI 0.006441 0.40959 1.38408
7 1RL4 BRR 0.02121 0.40759 1.59574
8 5LI9 ACP 0.0004252 0.4567 1.7301
9 4OCV ANP 0.0003346 0.44333 1.7301
10 5HCY 60D 0.002797 0.43954 1.7301
11 2XMY CDK 0.007512 0.43437 1.7301
12 1U5R ATP 0.002366 0.43229 1.7301
13 4AU8 Z3R 0.004881 0.43066 1.7301
14 3MVH WFE 0.002638 0.42638 1.7301
15 4R78 AMP 0.008172 0.4242 1.7301
16 4OTH DRN 0.002402 0.41678 1.7301
17 1VJY 460 0.005393 0.41556 1.7301
18 2R5V HHH 0.01134 0.40873 1.7301
19 1UNH IXM 0.001721 0.40105 1.7301
20 4N70 2HX 0.00177 0.45249 2.07612
21 4H3Q ANP 0.0006392 0.44271 2.07612
22 1YXM ADE 0.02545 0.41771 2.07612
23 4Y93 746 0.007383 0.4013 2.07612
24 3VPD ANP 0.000148 0.46724 2.13523
25 4TWP AXI 0.00729 0.42166 2.21402
26 5FBN 5WF 0.006087 0.41572 2.21402
27 4GYI ADP 0.00005965 0.51715 2.42215
28 3ZGJ RMN 0.001009 0.47564 2.42215
29 2F2U M77 0.001573 0.45464 2.42215
30 3HAV ATP 0.0005413 0.45122 2.42215
31 4NM5 ADP 0.0006101 0.44356 2.42215
32 3F7Z 34O 0.0005657 0.42979 2.42215
33 4GJ3 0XP 0.003129 0.42455 2.42215
34 3ZRM ZRM 0.0009994 0.41887 2.42215
35 5LXC 7AA 0.0006162 0.41844 2.42215
36 1OUK 084 0.03744 0.41567 2.42215
37 2X2M X2M 0.003209 0.41153 2.42215
38 3LXN MI1 0.003973 0.411 2.42215
39 2UYQ SAM 0.02215 0.4079 2.42215
40 2WQN ADP 0.01302 0.40586 2.42215
41 4E1Z 0MX 0.004008 0.40243 2.42215
42 4YZN 4K5 0.0004485 0.44917 2.43902
43 1U59 STU 0.00158 0.43599 2.43902
44 2PYW ADP 0.0000653 0.48694 2.76817
45 5DMZ ADP 0.001483 0.43721 2.76817
46 5IQD GNP 0.002257 0.43714 2.76817
47 5IQD RIO 0.002398 0.43714 2.76817
48 1OBD ATP 0.004043 0.43009 2.76817
49 3FHR P4O 0.002312 0.42475 2.76817
50 3CY2 MB9 0.001936 0.42253 2.76817
51 4Y0X ADP 0.0004794 0.42082 2.76817
52 2YW2 ATP 0.002365 0.4206 2.76817
53 1M0W ANP 0.0005343 0.41966 2.76817
54 2XK9 XK9 0.006086 0.41689 2.76817
55 5EOB 5QQ 0.02277 0.40545 2.76817
56 5HES 032 0.00597 0.40026 2.76817
57 5TO8 7FM 0.01042 0.40976 2.83688
58 3QCQ 3Q0 0.009109 0.44024 2.88462
59 3DOO SKM 0.00751 0.42689 2.88809
60 5LVP ATP 0.0009978 0.41143 2.89389
61 1VHZ APR 0.01581 0.41314 3.0303
62 1RE8 BD2 0.0006661 0.46984 3.11419
63 4WB6 ATP 0.0003252 0.46065 3.11419
64 2GU8 796 0.001968 0.45569 3.11419
65 2R5T ANP 0.000638 0.44079 3.11419
66 5X8I SQZ 0.0004809 0.43349 3.11419
67 4FG8 ATP 0.001237 0.43259 3.11419
68 3TII ANP 0.0001157 0.43258 3.11419
69 3SLS ANP 0.002305 0.41752 3.11419
70 3DAK ANP 0.006604 0.41587 3.11419
71 3WQQ IB3 0.009533 0.41544 3.11419
72 2V7O DRN 0.0002799 0.41427 3.11419
73 3VO1 FAD 0.006479 0.4124 3.11419
74 5VZ0 ADP 0.001384 0.41106 3.11419
75 1IOW ADP 0.008056 0.41035 3.11419
76 1IOW PHY 0.008056 0.41035 3.11419
77 1V0O INR 0.002594 0.42257 3.125
78 5A6N U7E 0.0007048 0.43091 3.18021
79 3SRV S19 0.001074 0.41245 3.2491
80 3PDT ADP 0.006667 0.41568 3.27273
81 4F4P 0SB 0.01206 0.42125 3.2967
82 5C79 PBU 0.026 0.40162 3.33333
83 5MW8 ATP 0.0001214 0.47296 3.46021
84 4BFM ANP 0.000178 0.46841 3.46021
85 5I35 ANP 0.00005685 0.46057 3.46021
86 1Q8Y ADP 0.0003303 0.44774 3.46021
87 3HZT J60 0.002617 0.44387 3.46021
88 2Q7D ANP 0.0001949 0.43838 3.46021
89 3DLS ADP 0.0001757 0.43691 3.46021
90 2YAB AMP 0.0005891 0.43507 3.46021
91 5IH9 6BF 0.002396 0.43478 3.46021
92 2IO8 ADP 0.000473 0.43463 3.46021
93 4YLL 4E3 0.001031 0.434 3.46021
94 4IX4 ADP 0.001571 0.42031 3.46021
95 5JGA 6KC 0.004895 0.41741 3.46021
96 5CKW ANP 0.0004983 0.40935 3.46021
97 3UIM ANP 0.002893 0.40187 3.46021
98 4AQ0 DMJ 0.02897 0.40056 3.46021
99 1GXS DKA 0.02495 0.40495 3.79747
100 3AB4 THR 0.01312 0.40967 3.80048
101 2ZV2 609 0.0003374 0.48721 3.80623
102 4UAL 3FV 0.0002352 0.44317 3.80623
103 4KS7 X4Z 0.0007829 0.431 3.80623
104 3RI1 3RH 0.001988 0.42714 3.80623
105 4ANW O92 0.003969 0.42138 3.80623
106 4MV1 ADP 0.004063 0.42094 3.80623
107 2PVF ACP 0.004771 0.41845 3.80623
108 5DEY 59T 0.01189 0.41784 3.80623
109 2Q2V NAD 0.01327 0.40079 3.92157
110 3QWI NAP 0.006169 0.41426 4.07407
111 4AZW ATP 0.0001122 0.46719 4.15225
112 4BHN BH9 0.0008203 0.43171 4.15225
113 4JDI ANP 0.001738 0.4263 4.15225
114 5GZ9 ANP 0.002333 0.41913 4.15225
115 4U44 3D9 0.001148 0.41772 4.15225
116 1I7L ATP 0.001374 0.41643 4.15225
117 5AX9 4KT 0.001378 0.41453 4.15225
118 3ORK AGS 0.001484 0.41138 4.15225
119 5VLQ ANP 0.000000489 0.41127 4.15225
120 3V4S ATP 0.003448 0.41022 4.15225
121 5U6C 7YS 0.004061 0.40725 4.15225
122 4AZT LY2 0.0007398 0.40337 4.15225
123 3W9F I3P 0.004828 0.43829 4.23077
124 4CS9 AMP 0.0008867 0.48061 4.2328
125 5K2M ADP 0.0002307 0.46326 4.3956
126 4U98 ACP 0.000555 0.46088 4.49827
127 3WVR AMP 0.00007037 0.45199 4.49827
128 3PE2 E1B 0.002485 0.44385 4.49827
129 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.00378 0.44332 4.49827
130 2JDR L20 0.00378 0.44332 4.49827
131 4OH4 ANP 0.002179 0.42979 4.49827
132 4WNK 453 0.002368 0.4284 4.49827
133 4NOS H2B 0.01368 0.42032 4.49827
134 3TXO 07U 0.0006471 0.42016 4.49827
135 3ORQ ADP 0.005152 0.40619 4.49827
136 3HMO STU 0.008903 0.40611 4.49827
137 5N87 N66 0.01254 0.40299 4.49827
138 5LE1 6UW 0.0157 0.41219 4.51128
139 2A19 ANP 0.003396 0.43835 4.57143
140 1OW4 2AN 0.01447 0.40366 4.65116
141 4XYM A12 0.002647 0.40787 4.78261
142 2PUL ACP 0.00008321 0.49828 4.84429
143 4OCJ NDG 0.000254 0.48047 4.84429
144 3M2W L8I 0.00007619 0.44496 4.84429
145 4QMN DB8 0.002557 0.43354 4.84429
146 2X4Z X4Z 0.004837 0.42012 4.84429
147 4EUU BX7 0.002945 0.41986 4.84429
148 5UR1 YY9 0.009309 0.41496 4.84429
149 3K5I ADP 0.005825 0.40392 4.84429
150 5JKG 6LF 0.01392 0.40311 4.84429
151 4NW6 2NS 0.0004005 0.40247 4.84429
152 3SXF BK5 0.01247 0.40198 4.84429
153 4Y8D 49J 0.004123 0.41748 5
154 2HGS ADP 0.0005639 0.445 5.19031
155 4JR7 GNP 0.0005149 0.43296 5.19031
156 4ZS4 ATP 0.003747 0.41562 5.19031
157 3VSV XYS 0.01799 0.41545 5.19031
158 5AWM ANP 0.0006177 0.4096 5.19031
159 5IGI GMP 0.01316 0.40314 5.19031
160 5IGI ZIT 0.0139 0.40314 5.19031
161 4WNP 3RJ 0.0005004 0.41596 5.22648
162 1TQP ATP 0.00009512 0.46027 5.31915
163 1O9U ADZ 0.001898 0.4543 5.53633
164 4UX9 ANP 0.0005242 0.44845 5.53633
165 4PU5 ANP 0.001616 0.41897 5.53633
166 2R85 AMP 0.009477 0.40361 5.53633
167 1PK8 ATP 0.002529 0.4017 5.53633
168 1AUX AGS 0.009455 0.40143 5.53633
169 4F9C 0SX 0.0008431 0.45264 5.55556
170 3RE4 TO1 0.00006705 0.52139 5.81395
171 1ZP9 ATP 0.0004645 0.46944 5.81395
172 1ZTH ADP 0.0001925 0.41991 5.81395
173 3DNT ATP 0.0002296 0.46334 5.88235
174 5C1P DAL DAL 0.0008437 0.44129 5.88235
175 4G17 0VN 0.0001806 0.43447 5.88235
176 1T36 ORN 0.006764 0.43321 5.88235
177 2B9J ADP 0.00246 0.43152 5.88235
178 3GGF GVD 0.003936 0.42633 5.88235
179 3ETH ATP 0.001459 0.42581 5.88235
180 1PHK ATP 0.0009712 0.42478 5.88235
181 5C1P ADP 0.0003335 0.4244 5.88235
182 5UIU 8CG 0.003424 0.42418 5.88235
183 4X7Q 3YR 0.002961 0.42387 5.88235
184 1XJD STU 0.001058 0.42285 5.88235
185 1T36 ADP 0.0003518 0.42203 5.88235
186 2B9I ADP 0.003475 0.42078 5.88235
187 3TPV ADE 0.00322 0.41848 5.88235
188 2VPQ ANP 0.002877 0.41531 5.88235
189 2B9F ADP 0.002583 0.40429 5.88235
190 4CQE CQE 0.01515 0.40147 6.11511
191 3X01 AMP 0.000004806 0.59947 6.22837
192 2QCS ANP 0.0003427 0.45968 6.22837
193 4YMJ 4EJ 0.002903 0.45437 6.22837
194 4IDT T28 0.00468 0.41883 6.22837
195 3G5D 1N1 0.01162 0.41982 6.29371
196 1IA9 ANP 0.0005848 0.45069 6.42857
197 5LXT ACP 0.000006587 0.51474 6.57439
198 1CM8 ANP 0.0001484 0.48687 6.57439
199 4DFU QUE 0.000932 0.47742 6.57439
200 4UWH JXM 0.0007707 0.45923 6.57439
201 5C4L 4XR 0.001375 0.44006 6.57439
202 2RIO ADP 0.002516 0.43108 6.57439
203 5T8O 76Z 0.001295 0.43173 6.59026
204 2YAK OSV 0.001127 0.44236 6.66667
205 3KN5 ANP 0.001327 0.40158 6.92042
206 5AVF TAU 0.02102 0.40357 7.00389
207 5UOX 8GY 0.0008342 0.43593 7.01107
208 4LRJ ANP 0.001158 0.44639 7.10059
209 3FHI ANP 0.0002734 0.46386 7.14286
210 4BG4 ARG 0.01284 0.41598 7.26644
211 3V8S 0HD 0.0008132 0.41581 7.61246
212 3PVW QRX 0.00195 0.40159 7.64706
213 1X8D RNS 0.02534 0.40407 7.69231
214 1NJJ GET 0.006787 0.43915 7.95848
215 3IGO ANP 0.002735 0.41442 7.95848
216 4XH0 ADP 0.0004282 0.49792 8.3045
217 4NFN 2KC 0.001213 0.44547 8.3045
218 4BTK DTQ 0.0003584 0.4372 8.3045
219 5HQ0 LZ9 0.001404 0.42257 8.3045
220 5JZJ AN2 0.001166 0.41485 8.3045
221 4IJP 1EH 0.003167 0.40818 8.3045
222 3UDZ ADP 0.0001158 0.46014 8.65052
223 4ME6 ADP 0.002867 0.45393 8.65052
224 2VN9 GVD 0.0004498 0.40947 8.65052
225 2CSN CKI 0.0003792 0.4578 8.99654
226 2Z7R STU 0.0003395 0.45221 8.99654
227 3AKK ADP 0.0003757 0.44144 8.99654
228 4KBA 1QM 0.007636 0.42568 8.99654
229 5W4W 9WG 0.003719 0.42129 8.99654
230 2VZ6 FEF 0.006572 0.42003 9.34256
231 3TDV GDP 0.008884 0.40263 9.34256
232 4CFU 2WC 0.004475 0.42373 9.54198
233 4BCN T9N 0.00759 0.41705 9.54198
234 4BCQ TJF 0.01591 0.40555 9.54198
235 3GQI ACP 0.0076 0.40566 9.73451
236 1GSA ADP 0.0002835 0.45752 10.0346
237 2PZI AXX 0.001183 0.45549 10.0346
238 5FI4 5XV 0.006941 0.40087 10.5263
239 3KRR DQX 0.00316 0.45145 10.7266
240 4CRL C1I 0.005969 0.41489 10.7266
241 3ALN ANP 0.001546 0.42846 11.0727
242 1DTL BEP 0.007378 0.41764 11.1801
243 4WW7 AMP 0.0002913 0.45498 11.7647
244 5LPZ ADP 0.002442 0.40415 12.1107
245 3IDB ANP 0.0007259 0.43258 12.4224
246 1I7A PHE 0.001846 0.42403 12.6126
247 1SQL GUN 0.02415 0.4102 13.6986
248 5UKL SIX 0.001875 0.4298 13.8408
249 2VQD AP2 0.002426 0.42013 13.8408
250 3I0O ADP 0.002691 0.44328 14.1869
251 4FL3 ANP 0.005003 0.40347 14.1869
252 2HY0 306 0.007588 0.41706 16.263
253 3TKI S25 0.01522 0.41286 16.263
254 2BKK ADP 0.0005915 0.42441 17.803
255 4Q5H ANP 0.0011 0.44298 17.9487
256 4YZC STU 0.001929 0.44016 18.3391
257 2IF8 ADP 0.000000000006368 0.89615 25.9516
258 5LI1 ANP 0.0006575 0.44024 35
259 4O4F IHP 0.00000003786 0.62824 41.129
260 4O4F ATP 0.00000003277 0.62824 41.129
261 5W2I I3P 0.00000003311 0.62528 41.2451
262 5W2I ADP 0.00000003311 0.62528 41.2451
Pocket No.: 2; Query (leader) PDB : 2AQX; Ligand: ATP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2aqx.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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