Receptor
PDB id Resolution Class Description Source Keywords
4IX4 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A STT7 HOMOLOG FROM MICROMONAS ALGAE IN WITH ADP MICROMONAS PROTEIN KINASE CANONICAL PROTEIN KINASE FOLD ATP BINDING TRANSFERASE
Ref.: STRUCTURE OF THE CATALYTIC DOMAIN OF A STATE TRANSI KINASE HOMOLOG FROM MICROMONAS ALGAE PROTEIN CELL V. 4 607 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:603;
B:602;
A:602;
Invalid;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
ADP A:601;
B:601;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4IX4 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A STT7 HOMOLOG FROM MICROMONAS ALGAE IN WITH ADP MICROMONAS PROTEIN KINASE CANONICAL PROTEIN KINASE FOLD ATP BINDING TRANSFERASE
Ref.: STRUCTURE OF THE CATALYTIC DOMAIN OF A STATE TRANSI KINASE HOMOLOG FROM MICROMONAS ALGAE PROTEIN CELL V. 4 607 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4IX6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4IX5 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 4IX4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4IX6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4IX5 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 4IX4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4IX6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4IX5 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 4IX4 - 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 : 4IX4; Ligand: ADP; Similar sites found: 346
This union binding pocket(no: 1) in the query (biounit: 4ix4.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ME6 ADP 0.0002298 0.50789 1.42857
2 2CFM AMP 0.0008423 0.46584 1.42857
3 3CMJ SRT 0.01201 0.41191 1.42857
4 3X01 AMP 0.0001205 0.52364 1.71429
5 3ZGE ASP 0.01575 0.4156 1.71429
6 2YRX AMP 0.01456 0.4131 1.71429
7 3VPB ADP 0.00000637 0.4926 1.77305
8 3VPC ADP 0.00006894 0.47535 1.77305
9 3PDT ADP 0.0003591 0.47252 1.81818
10 5F90 GLA GAL 0.01236 0.42948 1.92308
11 5F90 LMR 0.01524 0.42401 1.92308
12 3ETH ATP 0.0001662 0.46004 2
13 2VQD AP2 0.0003084 0.45613 2
14 3ORQ ADP 0.0007067 0.4409 2
15 4CC6 L5Y 0.0001742 0.50557 2.20126
16 5I35 ANP 0.00000152 0.57444 2.28571
17 2QK4 ATP 0.00002252 0.54971 2.28571
18 4U98 ACP 0.00002557 0.51913 2.28571
19 5VZ0 ADP 0.0005195 0.46011 2.28571
20 5NCY 8TK 0.0001018 0.43183 2.28571
21 4OUC 5ID 0.000003074 0.56797 2.57143
22 3V4S ATP 0.0002373 0.45468 2.57143
23 3TPV ADE 0.0005577 0.44952 2.57143
24 5M60 BGC 0.01887 0.40855 2.57143
25 3W0O ADP 0.00001934 0.44811 2.5788
26 3W0O HY0 0.00001934 0.44811 2.5788
27 5GZ9 ANP 0.00002953 0.4832 2.62295
28 4GLW 0XT 0.002653 0.44678 2.62295
29 5HX8 66P 0.000002526 0.50423 2.64901
30 4XCB AKG 0.01401 0.41521 2.68199
31 5EOB 5QQ 0.0008423 0.47584 2.82132
32 3UDZ ADP 0.00005593 0.49265 2.85714
33 1IA9 ANP 0.0001123 0.47958 2.85714
34 4AT3 LTI 0.0002719 0.41142 3.01003
35 5USZ SKE 0.00005214 0.45007 3.11419
36 4FE2 ADP 0.008274 0.4135 3.13725
37 3Q60 ATP 0.002682 0.42793 3.14286
38 1SGJ OAA 0.01297 0.40459 3.16901
39 3VPD ANP 0.0008049 0.43279 3.20285
40 5COU ATP 0.0001312 0.45098 3.23529
41 5C1P ADP 0.0002648 0.48424 3.26797
42 1OBD ATP 0.001444 0.44941 3.26797
43 5C1P DAL DAL 0.001087 0.40917 3.26797
44 4LH7 1X8 0.0002344 0.50935 3.40557
45 4OCV ANP 0.000002347 0.55212 3.42857
46 4PZ6 GMP 0.00008654 0.52922 3.42857
47 1W2D ADP 0.001281 0.45702 3.42857
48 4OCJ NDG 0.000004946 0.42858 3.42857
49 2OG7 AHB 0.02898 0.40158 3.42857
50 2AQX ATP 0.001571 0.42031 3.46021
51 4BT5 23B 0.01823 0.40501 3.50195
52 5KO1 6UY 0.0001121 0.49016 3.71429
53 3TY5 ATP 0.00223 0.44534 3.71429
54 3TY5 ADP 0.001692 0.44143 3.71429
55 2HGS ADP 0.0007646 0.42802 3.71429
56 4ZGP ADP 0.006861 0.40948 3.75427
57 3I0O ADP 0.00004432 0.5278 3.83481
58 4Q5H ANP 0.00001412 0.52447 3.84615
59 1ZTH ADP 0.00002855 0.53705 3.87597
60 1ZP9 ATP 0.0000747 0.504 3.87597
61 3AKK ADP 0.00002554 0.50735 4
62 4UWH JXM 0.0006168 0.46167 4
63 1ZX5 LFR 0.01027 0.42026 4
64 4IP7 FLC 0.02155 0.40558 4
65 2Q7D ANP 0.0001381 0.43651 4.04624
66 2XG5 EC5 0.01698 0.4076 4.12844
67 2XG5 EC2 0.01698 0.4076 4.12844
68 4LRJ ANP 0.0004843 0.46149 4.14201
69 4YZN 4K5 0.000002294 0.52649 4.18118
70 4OH4 ANP 0.00001316 0.52581 4.2042
71 3EKK GS2 0.00005183 0.411 4.23453
72 3BU5 ATP 0.00003299 0.5082 4.24837
73 3PN1 IVH 0.000203 0.50919 4.28571
74 5TDF ADP 0.0002201 0.46232 4.28571
75 4XYM A12 0.0003183 0.46004 4.34783
76 5MW8 ATP 0.00003924 0.47806 4.57143
77 1M0W ANP 0.001524 0.4097 4.57143
78 2JGV ADP 0.02248 0.40044 4.57143
79 4YMJ 4EJ 0.0000373 0.54881 4.60526
80 4JGP PYR 0.01005 0.42429 4.60829
81 3RE4 TO1 0.0001617 0.50057 4.65116
82 3HAV ATP 0.0000383 0.54981 4.68227
83 2IF8 ADP 0.00008073 0.52963 4.6832
84 1UCD U5P 0.0141 0.4182 4.73684
85 1AV5 AP2 0.01117 0.4073 4.7619
86 1CKN GTP 0.0009629 0.46866 4.84848
87 1CKM GTP 0.0009977 0.43456 4.84848
88 2PUL ACP 0.0001313 0.48707 4.85714
89 1EHI ADP 0.0003199 0.45995 4.85714
90 5IGI GMP 0.00002966 0.41116 4.98339
91 5IGI ZIT 0.00003197 0.40595 4.98339
92 4I94 ANP 0.00007021 0.49933 5
93 5FDZ 5X0 0.01465 0.40561 5.04202
94 3AB4 THR 0.01473 0.40549 5.05618
95 3PLS ANP 0.00001107 0.53553 5.14286
96 5TT6 ATP 0.001116 0.4256 5.14286
97 2IO8 ADP 0.0005107 0.43001 5.42857
98 2E40 LGC 0.02277 0.40502 5.42857
99 4O4F ATP 0.001138 0.41131 5.64516
100 4O4F IHP 0.001283 0.40503 5.64516
101 1GSA ADP 0.00002723 0.48486 5.6962
102 2PYW ADP 0.00002928 0.49936 5.71429
103 2RIO ADP 0.0002026 0.47856 5.71429
104 4ZS4 ATP 0.000317 0.46012 5.86319
105 2GQS ADP 0.004701 0.41691 5.90717
106 4OAV ACP 0.00001025 0.53704 6
107 2VPQ ANP 0.000725 0.43011 6
108 3VRY B43 0.001632 0.40334 6
109 3PP0 03Q 0.00004649 0.4552 6.21302
110 1U59 STU 0.0000004154 0.59203 6.27178
111 4O1P ANP 0.00001609 0.52196 6.28571
112 4FL3 ANP 0.00004503 0.48371 6.28571
113 5HES 032 0.0001162 0.47628 6.51466
114 5IQD GNP 0.000009658 0.54759 6.55738
115 5IQD RIO 0.00001045 0.54759 6.55738
116 2H8H H8H 0.00002762 0.51161 6.57143
117 2R5T ANP 0.00001611 0.50203 6.57143
118 1Y57 MPZ 0.00008515 0.46432 6.57143
119 4PU5 ANP 0.00009712 0.46376 6.57143
120 2X2M X2M 0.0002602 0.45282 6.6879
121 4M69 ANP 0.0005552 0.44533 6.70927
122 4FF8 14S 0.001065 0.46091 6.81115
123 3K5I ADP 0.0004657 0.44856 6.85714
124 3TXO 07U 0.0000029 0.56913 7.14286
125 3V8S 0HD 0.00001468 0.53 7.14286
126 5LI1 ANP 0.000003618 0.52774 7.14286
127 4DC2 ADE 0.0001827 0.5132 7.14286
128 4ANW O92 0.00001208 0.44942 7.14286
129 5LI9 ACP 0.0009006 0.44053 7.14286
130 1S68 AMP 0.0002615 0.50358 7.22892
131 3AQV TAK 0.0002681 0.46805 7.24638
132 5CEO 50D 0.0004292 0.45903 7.33333
133 3IDB ANP 0.00000334 0.51956 7.42857
134 2QCS ANP 0.000002348 0.49951 7.42857
135 3FHI ANP 0.000002842 0.4969 7.42857
136 4WB6 ATP 0.000003692 0.49299 7.42857
137 4AZT LY2 0.001123 0.4598 7.42857
138 4YZC STU 0.000002844 0.44547 7.42857
139 4WNK 453 0.00004117 0.4417 7.42857
140 4WB7 ATP 0.000007394 0.43418 7.42857
141 1OPK P16 0.0001778 0.41082 7.42857
142 4JDI ANP 0.0001851 0.4655 7.51445
143 2QLU ADE 0.002456 0.4368 7.64331
144 3LXK MI1 0.0000224 0.46273 7.64526
145 4L9I 8PR 0.0009323 0.44865 7.71429
146 3ORK AGS 0.00009085 0.45174 7.71704
147 2HK5 1BM 0.000181 0.46591 7.77778
148 2F57 23D 0.0003794 0.47141 7.88644
149 3MVH WFE 0.00000374 0.4742 7.89474
150 2Y6O 1N1 0.001163 0.42534 7.90378
151 2BKK ADP 0.000001488 0.59061 7.95455
152 1MEX RAC 0.01179 0.41021 7.98122
153 3TM0 ANP 0.00000468 0.45569 7.98479
154 3TM0 B31 0.000005134 0.44875 7.98479
155 3PTG 932 0.000001583 0.60702 8
156 4JR7 GNP 0.000002169 0.56036 8
157 4F9C 0SX 0.00001003 0.53747 8
158 4IZY 1J2 0.000008689 0.52167 8
159 4UX9 ANP 0.00002002 0.50634 8
160 3TTI KBI 0.00007134 0.4454 8
161 5MY8 RXZ 0.0002026 0.4377 8
162 5W2I I3P 0.0007169 0.42361 8.17121
163 5W2I ADP 0.0007169 0.42361 8.17121
164 3DGY 2GP 0.02528 0.40273 8.24742
165 3GNI ATP 0.0003778 0.4524 8.28571
166 5FPE 3TR 0.03322 0.40738 8.28571
167 3DLS ADP 0.00000003905 0.6555 8.35821
168 2WQN ADP 0.0004354 0.47403 8.3871
169 1FUT 2GP 0.02581 0.40225 8.49057
170 4L3L 5FI 0.000003282 0.55793 8.55263
171 1Q8Y ADE 0.00004104 0.53677 8.57143
172 1Q8Y ADP 0.000005477 0.53015 8.57143
173 4YLL 4E3 0.0000339 0.48221 8.57143
174 5IH9 6BF 0.000008884 0.43558 8.65672
175 4BFM ANP 0.00000239 0.54537 8.68263
176 2Z7R STU 0.0000002674 0.57415 8.72274
177 5JZJ AN2 0.00001692 0.52721 8.75421
178 5DEY 59T 0.00004438 0.40588 8.75421
179 4AUA 4AU 0.0000008407 0.58604 8.79479
180 3LXN MI1 0.000001719 0.55143 8.80503
181 2F2U M77 0.000003879 0.57905 8.85714
182 4Y0X ADP 0.000004678 0.55955 8.85714
183 2PZI AXX 0.0003234 0.48013 8.85714
184 3SXF BK5 0.0001053 0.40718 8.85714
185 4KS7 X4Z 0.0003672 0.442 8.90411
186 4NW6 2NS 0.000008142 0.4526 8.97833
187 2HY0 306 0.0006308 0.46642 9.00621
188 2ZV2 609 0.000006719 0.56749 9.0604
189 4G17 0VN 0.00002606 0.52511 9.09091
190 4EUU BX7 0.000003953 0.49435 9.09091
191 3VOT ADP 0.000001725 0.5961 9.14286
192 1TQP ATP 0.00005049 0.46809 9.21986
193 1ZY5 ANP 0.0001395 0.48587 9.24092
194 3KMW ATP 0.0005462 0.45913 9.30233
195 4R78 AMP 0.00001296 0.56165 9.38511
196 4CRL C1I 0.00003287 0.42782 9.42857
197 4D4U FUC NDG GAL FUC 0.02585 0.40168 9.52381
198 4GJ3 0XP 0.000004662 0.46567 9.60265
199 4XLI 1N1 0.000146 0.48498 9.70149
200 4IJP 1EH 0.00001387 0.51308 9.71429
201 4WOV 3SM 0.0002405 0.48622 9.71429
202 2CSN CKI 0.0000005411 0.52299 9.76431
203 5C03 AGS 0.00006577 0.49498 9.94152
204 3DAK ANP 0.00005461 0.51028 10
205 2XK9 XK9 0.0001445 0.40426 10.2484
206 4GYI ADP 0.00001047 0.55056 10.2857
207 3C0G 3AM 0.00002123 0.53605 10.2857
208 4CYI ATP 0.0004172 0.45058 10.2857
209 5H2U 1N1 0.001283 0.43804 10.4869
210 5DA3 58V 0.0003717 0.48306 10.566
211 4BHN BH9 0.0000002936 0.58388 10.5714
212 2YW2 ATP 0.0000554 0.48766 10.5714
213 5DXT 5H5 0.003686 0.41408 10.8571
214 3FHR P4O 0.00005002 0.49475 11.3095
215 5TO8 7FM 0.00004785 0.40505 11.3475
216 2YAB AMP 0.000005528 0.53605 11.4286
217 4CSV STI 0.001243 0.4179 11.6364
218 3HZT J60 0.00001592 0.54934 11.7143
219 1TZD ADP 0.0002242 0.50332 11.7143
220 5U6C 7YS 0.00004325 0.4845 12.0635
221 3SRV S19 0.000001884 0.57023 12.2744
222 3M2W L8I 0.000001067 0.59743 12.3746
223 5TA6 79D 0.0002796 0.42458 12.5714
224 5A6N U7E 0.000009636 0.51439 12.7208
225 4AG8 AXI 0.000143 0.40032 12.9747
226 4H3P ANP 0.00001765 0.52018 13.4286
227 4H3Q ANP 0.00007465 0.46857 13.4286
228 5X7Q GLC GLC GLC GLC 0.01033 0.42737 13.4286
229 5X7Q GLC GLC GLC 0.01282 0.41858 13.4286
230 3SLS ANP 0.0001064 0.46813 13.4868
231 3PVW QRX 0.0001989 0.43541 13.5135
232 4I6H 1C8 0.001996 0.42956 13.6364
233 5UOX 8GY 0.0000005468 0.56106 13.6531
234 5AWM ANP 0.00006264 0.52052 13.7143
235 2PVN P63 0.00001254 0.46137 13.7143
236 5EFQ ADP 0.00001567 0.52247 13.8329
237 4UAL 3FV 0.0000003006 0.56707 14
238 5DMZ ADP 0.000007977 0.5354 14
239 4NST ADP 0.00001479 0.52357 14
240 1U5R ATP 0.00002372 0.5206 14.0805
241 4WNP 3RJ 0.0000005421 0.61134 14.2857
242 4Y8D 49J 0.0001239 0.48284 14.4118
243 1JPA ANP 0.0006379 0.46033 14.4231
244 3PE2 E1B 0.000002445 0.40839 14.5401
245 1E4E ADP 0.0003062 0.46077 14.5773
246 5MJA 7O3 0.001314 0.4465 14.7541
247 3IGO ANP 0.0000261 0.49321 14.8571
248 2XVD AS6 0.0001035 0.43136 15.2318
249 4E1Z 0MX 0.000004668 0.51521 15.4639
250 2V7O DRN 0.00000007509 0.6728 15.4762
251 3HMO STU 0.0000731 0.49854 15.4971
252 3KRL KRL 0.000449 0.4427 15.5224
253 2ET1 GLV 0.0264 0.40255 15.9204
254 5UKL SIX 0.0001438 0.43243 16.129
255 2B9J ADP 0.000007847 0.54227 16.5714
256 2B9I ADP 0.000009802 0.53146 16.5714
257 2B9F ADP 0.00001222 0.52723 16.5714
258 2B9H ADP 0.00001363 0.51913 16.5714
259 2VZ6 FEF 0.00001192 0.54789 16.9329
260 5OFW 9TW 0.01177 0.41853 17.0404
261 2VN9 GVD 0.000009989 0.56726 17.2757
262 5M06 ADP 0.000773 0.45714 17.3913
263 1XJD STU 0.0000004033 0.58515 17.971
264 4E93 GUI 0.00007319 0.42379 19.1429
265 4BTK DTQ 0.000000428 0.59146 20.178
266 5W4W 9WG 0.00000984 0.45202 20.2417
267 4KBA 1QM 0.0001458 0.4334 20.2417
268 5HVJ ANP 0.000029 0.55641 20.3175
269 5VC5 96M 0.00008139 0.44175 20.4152
270 5N87 N66 0.00003798 0.4211 20.4473
271 2WEL K88 0.001077 0.4728 20.6667
272 5JGA 6KC 0.00005924 0.42427 20.9524
273 4U44 3D9 0.000005247 0.54343 21.0843
274 5VCV 1N1 0.000003681 0.51034 21.2219
275 4NFN 2KC 0.0000008258 0.58639 21.3592
276 3ALN ANP 0.0003698 0.45279 21.4067
277 2YAK OSV 0.000008672 0.46287 21.4286
278 2PVF ACP 0.000004353 0.55382 21.5569
279 4XV1 904 0.000002289 0.45897 21.9178
280 3OFM 4B0 0.000006012 0.56195 22
281 3UIM ANP 0.0000356 0.50674 22.0859
282 4D2S DYK 0.0005347 0.46981 22.1831
283 4QTB 38Z 0.00005286 0.44489 22.2857
284 4X7Q 3YR 0.000000356 0.59499 22.4359
285 2WEI VGG 0.003068 0.42949 22.5714
286 4OTH DRN 0.0000006039 0.55983 22.5806
287 4QMN DB8 0.000005598 0.44092 22.5806
288 5UIU 8CG 0.000073 0.43336 22.6006
289 4K33 ACP 0.00002131 0.51075 22.7692
290 3RI1 3RH 0.00003742 0.46156 23.0032
291 4CQE CQE 0.00001855 0.4981 23.0216
292 4FG8 ATP 0.0001256 0.47263 23.1746
293 3GQI ACP 0.0000556 0.4982 23.3129
294 1CM8 ANP 0.00001329 0.53194 23.4286
295 3GC8 B45 0.000005347 0.52122 23.4286
296 4N70 2HX 0.0000002973 0.42127 23.4756
297 5AX9 4KT 0.000002239 0.55976 23.7013
298 5DH3 5BS 0.000118 0.47376 23.8095
299 5UR1 YY9 0.00007978 0.42631 24.4373
300 3CY2 MB9 0.000000217 0.56622 24.5223
301 4IDT T28 0.000001459 0.57524 24.5714
302 3GC0 AMP 0.00008006 0.5088 24.6201
303 1PHK ATP 0.00001432 0.5182 24.8322
304 3ZRM ZRM 0.000003569 0.55082 24.8571
305 1O9U ADZ 0.0001992 0.50553 24.8571
306 4Y85 499 0.00003356 0.5138 25
307 3F7Z 34O 0.00000006073 0.62888 25.1429
308 4NM5 ADP 0.000001445 0.53398 25.1429
309 2JLD AG1 0.0000001815 0.49478 25.1429
310 2OFV 242 0.00001727 0.42717 25.2708
311 4Y93 746 0.001901 0.4027 25.7143
312 5T8O 76Z 0.00000311 0.54054 26.0745
313 3KN5 ANP 0.000002434 0.58051 26.1538
314 5LVP ATP 0.0001006 0.50411 26.3666
315 4C2W ANP 0.001521 0.45341 26.5233
316 4EWH T77 0.00001799 0.46253 26.5455
317 1BYG STU 0.000008996 0.54644 26.6187
318 5BWD FUM 0.01228 0.42084 26.6667
319 5EYK 5U5 0.0008678 0.40825 26.8116
320 3GGF GVD 0.000001153 0.58762 26.9103
321 1VJY 460 0.00002399 0.43651 27.1429
322 4LOO SB4 0.000737 0.44866 27.1468
323 5HQ0 LZ9 0.000003214 0.53993 27.4834
324 4AU8 Z3R 0.00001065 0.5578 27.7027
325 3O0G 3O0 0.0000003691 0.55725 28.0822
326 1UNH IXM 0.00002014 0.53713 28.0822
327 4A4X JUP 0.00005166 0.45625 28.3154
328 2BPM 529 0.000002002 0.40767 29.1262
329 4CFU 2WC 0.0000005958 0.60086 29.3729
330 3H9R TAK 0.003047 0.44378 29.3939
331 4BCQ TJF 0.0000004197 0.62583 29.5681
332 4BCM T7Z 0.0001022 0.43127 29.5681
333 4BCN T9N 0.0000002174 0.6301 29.6667
334 5LMK 6ZK 0.00002994 0.52234 29.9663
335 1V0O INR 0.000006409 0.53328 30.5556
336 4USF 6UI 0.000236 0.44072 30.9211
337 2J7T 274 0.0003552 0.40755 32.1192
338 3SXS PP2 0.000994 0.43463 32.8358
339 2A19 ANP 0.000001551 0.59833 33.4507
340 5X8I SQZ 0.00000272 0.55602 35.4286
341 2WU6 DKI 0.000003038 0.5239 35.4286
342 1K3A ACP 0.0008415 0.4172 35.7143
343 5G1X ADP 0.00004746 0.507 40
344 5L8L ADP 0.000213 0.49477 40
345 5LXM ADP 0.00002702 0.51804 40.2827
346 3E5A VX6 0.00001013 0.48585 41.4179
Pocket No.: 2; Query (leader) PDB : 4IX4; Ligand: ADP; 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: 4ix4.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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