Receptor
PDB id Resolution Class Description Source Keywords
3DLS 2.3 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF HUMAN PAS KINASE BOUND TO ADP HOMO SAPIENS PAS KINASE PASK PROTEIN KINASE DRUG DISCOVERY ATP-BINDINKINASE NUCLEOTIDE-BINDING PHOSPHOPROTEIN SERINE/THREONINKINASE TRANSFERASE STRUCTURAL GENOMICS PSI-2 PROTEIN STINITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENNYSGXRC
Ref.: STRUCTURAL BASES OF PAS DOMAIN-REGULATED KINASE (PA ACTIVATION IN THE ABSENCE OF ACTIVATION LOOP PHOSPHORYLATION. J.BIOL.CHEM. V. 285 41034 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:1;
B:2;
C:3;
D:4;
E:5;
F:6;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:20;
A:25;
A:7;
A:8;
B:10;
B:19;
B:24;
B:9;
C:11;
C:12;
C:21;
C:22;
D:13;
D:14;
D:23;
E:15;
E:16;
F:17;
F:18;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
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
3DLS 2.3 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF HUMAN PAS KINASE BOUND TO ADP HOMO SAPIENS PAS KINASE PASK PROTEIN KINASE DRUG DISCOVERY ATP-BINDINKINASE NUCLEOTIDE-BINDING PHOSPHOPROTEIN SERINE/THREONINKINASE TRANSFERASE STRUCTURAL GENOMICS PSI-2 PROTEIN STINITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENNYSGXRC
Ref.: STRUCTURAL BASES OF PAS DOMAIN-REGULATED KINASE (PA ACTIVATION IN THE ABSENCE OF ACTIVATION LOOP PHOSPHORYLATION. J.BIOL.CHEM. V. 285 41034 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 3DLS - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 3DLS - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 3DLS - 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 : 3DLS; Ligand: ADP; Similar sites found: 304
This union binding pocket(no: 1) in the query (biounit: 3dls.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5A7C 5D4 0.01795 0.405 None
2 5EXK 5AD 0.02107 0.40061 0.906344
3 4CC6 L5Y 0.00004518 0.52411 0.943396
4 2QK4 ATP 0.00002208 0.53921 1.49254
5 1E4E ADP 0.0005947 0.43201 1.49254
6 2HGS ADP 0.0001541 0.4282 1.49254
7 2Q7D ANP 0.0002268 0.40743 1.49254
8 1S68 AMP 0.0002183 0.49779 1.60643
9 1OBD ATP 0.001641 0.43801 1.63399
10 3UDZ ADP 0.000006475 0.50637 1.79104
11 4U98 ACP 0.0001576 0.46977 1.79104
12 4GLW 0XT 0.00009433 0.5086 1.96721
13 4UWH JXM 0.0001131 0.48556 2.08955
14 5COU ATP 0.0005101 0.45864 2.08955
15 2IO8 ADP 0.0002258 0.42051 2.08955
16 3K5I ADP 0.002222 0.40299 2.08955
17 2F7C CCU 0.01581 0.40679 2.14592
18 5VLQ ANP 0.0003097 0.48346 2.38806
19 3DNT ATP 0.00004249 0.45172 2.38806
20 4PU5 ANP 0.0001004 0.44543 2.38806
21 3ETH ATP 0.0002752 0.42736 2.38806
22 2VQD AP2 0.0008694 0.42082 2.38806
23 3VSV XYS 0.009383 0.4182 2.38806
24 2XCU C5P 0.01395 0.40761 2.38806
25 4NZ6 DGL 0.01679 0.40545 2.55591
26 5IQD RIO 0.000037 0.54575 2.62295
27 5IQD GNP 0.00003455 0.54575 2.62295
28 2WPB ZZI 0.009595 0.41576 2.63158
29 1M3U KPL 0.009467 0.41135 2.65152
30 5I35 ANP 0.000005758 0.53139 2.68657
31 2BO4 FLC 0.008424 0.41304 2.68657
32 3A23 GAL 0.01104 0.4127 2.68657
33 2HFK E4H 0.01593 0.40471 2.82132
34 1AUX AGS 0.0001713 0.45988 2.89389
35 4R78 AMP 0.0000006351 0.61401 2.91262
36 2YW2 ATP 0.0001583 0.44686 2.98507
37 5MW8 ATP 0.000127 0.43898 2.98507
38 2YRX AMP 0.003604 0.43746 2.98507
39 4ZS4 ATP 0.0003346 0.44361 3.25733
40 5C1P ADP 0.0002138 0.47884 3.26797
41 5C1P DAL DAL 0.0004623 0.40239 3.26797
42 1TZD ADP 0.00000563 0.58968 3.27273
43 2IF8 ADP 0.000007422 0.57103 3.28358
44 1NJJ GET 0.02268 0.40271 3.28358
45 1W2D ADP 0.0001924 0.48706 3.39623
46 4LH7 1X8 0.00001553 0.55961 3.40557
47 3ORQ ADP 0.001899 0.40917 3.44828
48 2AQX ATP 0.0001757 0.43691 3.46021
49 5W2I ADP 0.00004828 0.44293 3.50195
50 5W2I I3P 0.00004828 0.44293 3.50195
51 3X01 AMP 0.00009732 0.51813 3.58209
52 1EHI ADP 0.0004987 0.43366 3.58209
53 2VPQ ANP 0.0003102 0.4225 3.58209
54 1T36 ADP 0.0001306 0.41544 3.58209
55 5NCY 8TK 0.0001459 0.40431 3.58209
56 3PDT ADP 0.0008661 0.44577 3.63636
57 2Y7P SAL 0.01205 0.41079 3.66972
58 5VZ0 ADP 0.0001838 0.46783 3.8806
59 3CQ5 PMP 0.01892 0.40095 3.8806
60 3TBK ANP 0.01607 0.40452 3.96396
61 1ZX5 LFR 0.01019 0.42342 4
62 1GSA ADP 0.000004033 0.49103 4.11392
63 5TDF ADP 0.0001435 0.44495 4.1791
64 3HAV ATP 0.00002596 0.54882 4.34783
65 5EB3 UEG 0.000632 0.40732 4.40252
66 1M0W ANP 0.0007029 0.44985 4.47761
67 3W0O ADP 0.00000288 0.44828 4.47761
68 3W0O HY0 0.00000288 0.44828 4.47761
69 4JGP PYR 0.01345 0.41029 4.60829
70 3KP6 SAL 0.00349 0.42878 4.63576
71 1IA9 ANP 0.00009157 0.46439 4.64286
72 1KHT AMP 0.01263 0.40524 4.6875
73 5TT6 ATP 0.0001066 0.44119 4.77612
74 1Z6K OAA 0.01985 0.40106 4.77816
75 3VPB ADP 0.000005345 0.47085 4.96454
76 3VPC ADP 0.00002056 0.47043 4.96454
77 3PN1 IVH 0.000008115 0.5691 5.03145
78 2QX0 PH2 0.01309 0.41203 5.03145
79 4RDL FUC GAL NDG FUC 0.001117 0.46631 5.19481
80 1ZTH ADP 0.000002243 0.57848 5.42636
81 1ZP9 ATP 0.000005894 0.54332 5.42636
82 2OVD DAO 0.01012 0.41721 5.49451
83 4DFU QUE 0.0002029 0.49938 5.59006
84 5T9C G3P 0.0195 0.40118 5.59701
85 5C4L 4XR 0.00007889 0.40911 5.60748
86 4O4F ATP 0.0001732 0.41603 5.64516
87 4O4F IHP 0.0001896 0.40901 5.64516
88 5DZT AMP 0.00006371 0.52827 5.67164
89 5FWE OGA 0.01927 0.40471 5.67164
90 2Q8C AKG 0.01984 0.4033 5.67164
91 4GYI ADP 0.000001344 0.58036 5.97015
92 4CYI ATP 0.0000307 0.47192 5.97015
93 4ME6 ADP 0.002621 0.44514 5.97015
94 1OIJ AKG 0.01288 0.40251 5.98007
95 4XYM A12 0.00009272 0.46058 6.08696
96 4PZ6 GMP 0.00003841 0.53717 6.26866
97 5F90 GLA GAL 0.01896 0.40124 6.41026
98 3TM0 ANP 0.00001094 0.41527 6.46388
99 3TM0 B31 0.00001188 0.40917 6.46388
100 4AZW ATP 0.000002479 0.51599 6.56716
101 4AZT LY2 0.0001189 0.49694 6.56716
102 3WVR AMP 0.00008931 0.49019 6.56716
103 3TII ANP 0.0004854 0.46806 6.56716
104 4OCJ NDG 0.000003422 0.41138 6.56716
105 4Q5H ANP 0.000006031 0.5203 6.57895
106 1KUJ MMA 0.002011 0.45621 6.76692
107 1WS5 MMA 0.003795 0.43474 6.76692
108 1JAC AMG 0.007128 0.41119 6.76692
109 1UGY GLA BGC 0.01554 0.40031 6.76692
110 2RIF AMP 0.008423 0.40123 7.0922
111 4OCV ANP 0.000006111 0.5099 7.16418
112 3I0O ADP 0.00007065 0.50764 7.16418
113 2PYW ADP 0.000003902 0.50658 7.16418
114 2PUL ACP 0.00006973 0.48575 7.16418
115 4ANW O92 0.000138 0.40193 7.16418
116 1I7L ATP 0.00004733 0.4477 7.44337
117 4O1P ANP 0.0000003526 0.57079 7.46269
118 1CKN GTP 0.0002734 0.48617 7.57576
119 1CKM GTP 0.0002178 0.43789 7.57576
120 1TQP ATP 0.000009811 0.46679 7.80142
121 4IX4 ADP 0.00000003905 0.6555 8.35821
122 2CFM AMP 0.000179 0.48855 8.35821
123 3V4S ATP 0.001263 0.40446 8.65672
124 2BKK ADP 0.000002124 0.5712 8.87574
125 3VOT ADP 0.00002118 0.53238 8.95522
126 5GZ9 ANP 0.000000205 0.53336 9.18033
127 3TDV GDP 0.000005011 0.5232 9.47712
128 1PK8 ATP 0.00002877 0.44689 9.55224
129 1U6R IOM 0.006398 0.42345 9.55224
130 3B6R CRN 0.004525 0.42225 9.55224
131 4ZGP ADP 0.004179 0.40897 9.55631
132 3VPD ANP 0.00005662 0.45226 9.96441
133 4OAV ACP 0.0000001468 0.59969 10.0143
134 3AB4 THR 0.00943 0.40704 10.1124
135 5LXT ACP 0.0001289 0.43311 10.4895
136 3TY5 ATP 0.001074 0.45173 12.5373
137 3TY5 ADP 0.001061 0.44179 12.5373
138 4CS9 AMP 0.007492 0.40757 12.6984
139 5K2M ADP 0.0001649 0.42908 13.5531
140 3KMW ATP 0.0001645 0.46994 13.6531
141 5CKW ANP 0.0000003581 0.61617 17.3134
142 3VHE 42Q 0.00000199 0.45157 20.8955
143 3LXK MI1 0.00000008714 0.51012 21.4067
144 5USZ SKE 0.000001564 0.47551 22.1453
145 4KBA 1QM 0.00001043 0.4424 22.3565
146 2CSN CKI 0.000000261 0.502 22.8956
147 3LQV ADE 0.00006123 0.52787 23.0769
148 3GNI ATP 0.000006634 0.49633 23.8806
149 4Y85 499 0.000002441 0.54801 24.0964
150 4CRL C1I 0.000001406 0.44396 25.1232
151 2OO8 RAJ 0.001271 0.40419 25.552
152 4WW7 AMP 0.0000007769 0.52002 25.6684
153 4E93 GUI 0.0000002348 0.47092 26.2687
154 4H3P ANP 0.000001382 0.5465 26.5672
155 4H3Q ANP 0.0000002738 0.52907 26.5672
156 3C1X CKK 0.0002947 0.42778 26.5672
157 1VJY 460 0.00000005468 0.4824 26.7327
158 4QTB 38Z 0.0000006578 0.47724 26.8657
159 3H9R TAK 0.00001853 0.5429 26.9697
160 5T8O 76Z 0.00000001081 0.60059 27.4627
161 5EOB 5QQ 0.00009464 0.54202 27.8997
162 3UIM ANP 0.000001548 0.54473 27.9141
163 3LXN MI1 0.000000009284 0.60387 27.9874
164 5C03 AGS 0.00003119 0.49091 28.0597
165 4ASE AV9 0.00001269 0.43893 28.0597
166 4BKJ STI 0.0001558 0.41561 28.254
167 4IDT T28 0.00000001236 0.6456 28.3582
168 5BYZ 4WE 0.000004806 0.43668 28.3582
169 4YZC STU 0.00000004947 0.45488 28.3951
170 4FL3 ANP 0.000001123 0.51981 28.6567
171 4WOV 3SM 0.00006735 0.50197 29.0221
172 4U0I 0LI 0.00001297 0.41849 29.2063
173 5LPZ ADP 0.0000003373 0.57126 29.2169
174 5AWM ANP 0.000000003462 0.71143 29.2537
175 2B9J ADP 0.0000000162 0.64089 29.2537
176 2B9I ADP 0.00000001968 0.6213 29.2537
177 2B9F ADP 0.0000000331 0.61246 29.2537
178 2B9H ADP 0.00000002369 0.60314 29.2537
179 4NST ADP 0.000000178 0.58219 29.2537
180 4BTK DTQ 0.0000003415 0.57126 29.2537
181 2WU6 DKI 0.00000003082 0.56214 29.2537
182 5KO1 6UY 0.000005723 0.53229 29.3286
183 5LXC 7AA 0.000000002912 0.69212 29.5522
184 4WNK 453 0.0000002409 0.48341 29.5522
185 3E7O 35F 0.000002438 0.43396 29.5522
186 4AG8 AXI 0.000001279 0.42392 29.7468
187 4GJ3 0XP 0.00000000809 0.50808 29.8013
188 1OPK P16 0.0000004865 0.46021 30.1493
189 5EKO N17 0.0005228 0.40867 30.1493
190 3TTI KBI 0.0000008816 0.47807 30.4478
191 5U6C 7YS 0.000001145 0.52053 30.4762
192 2QLU ADE 0.0001001 0.51055 30.5732
193 5HES 032 0.0000005871 0.60399 30.6189
194 4XH0 ADP 0.00001758 0.55695 30.7463
195 2X2M X2M 0.0000003166 0.53813 30.8917
196 3GC8 B45 0.0000004904 0.5302 31.0448
197 2F2U M77 0.000000005165 0.70322 31.3433
198 5LI1 ANP 0.000000002337 0.61131 31.3433
199 5LI9 ACP 0.00003134 0.48141 31.3433
200 2OFV 242 0.000001701 0.42495 31.4079
201 3GC0 AMP 0.00001616 0.53056 31.6109
202 4E1Z 0MX 0.0000001064 0.54262 31.6151
203 4DC2 ADE 0.00000001983 0.71409 31.6418
204 4LOO SB4 0.0001096 0.46883 31.6418
205 3BU5 ATP 0.0000001868 0.5828 31.6993
206 3EKK GS2 0.000005088 0.41563 31.9218
207 4EWH T77 0.000000169 0.49632 32.3636
208 5HQ0 LZ9 0.00000000531 0.61339 32.4503
209 2Y6O 1N1 0.00007943 0.44858 32.646
210 5LPB ADP 0.0000007577 0.60077 32.7703
211 5EFQ ADP 0.00000008148 0.59604 32.8358
212 3PVW QRX 0.000009444 0.45659 32.8358
213 5UKL SIX 0.000009124 0.45153 32.8358
214 5CEO 50D 0.00005128 0.50655 33
215 4CFU 2WC 0.00000001088 0.66636 33.0033
216 3VRY B43 0.00002591 0.44906 33.1343
217 4BCQ TJF 0.0000002765 0.62148 33.2226
218 4BCM T7Z 0.000003565 0.51229 33.2226
219 4BCN T9N 0.000000005349 0.69104 33.3333
220 1BYG STU 0.0000001815 0.61135 33.4532
221 3PLS ANP 0.000002252 0.54973 33.557
222 5LMK 6ZK 0.0001585 0.47897 33.67
223 1CM8 ANP 0.0000001114 0.60531 33.7313
224 3PP0 03Q 0.00000007915 0.5182 34.0237
225 2HK5 1BM 0.000002619 0.51448 34.0741
226 4Y93 746 0.0001151 0.41838 34.3284
227 5X8I SQZ 0.000000006858 0.63826 34.6269
228 4OTH DRN 0.00000003142 0.57361 34.6269
229 5MY8 RXZ 0.000008044 0.46191 34.6269
230 4AU8 Z3R 0.0000002332 0.62497 34.7973
231 4L9I 8PR 0.00003419 0.49898 34.9254
232 3O0G 3O0 0.00000001203 0.66836 34.9315
233 1UNH IXM 0.0000001078 0.61054 34.9315
234 1V0O INR 0.0000000113 0.61642 35.0694
235 3KRL KRL 0.00003091 0.46495 35.2239
236 2H8H H8H 0.0000004459 0.56668 35.5224
237 1Y57 MPZ 0.000004721 0.48536 35.5224
238 4BHN BH9 0.000000003456 0.62013 35.6287
239 1K3A ACP 0.00002569 0.50641 35.786
240 3TXO 07U 0.000000003748 0.68719 35.8209
241 5H2U 1N1 0.00009653 0.47133 35.9551
242 3SRV S19 0.000000002188 0.67786 36.1011
243 5DA3 58V 0.000008007 0.55235 36.2264
244 4YLL 4E3 0.000001486 0.5048 36.4179
245 4AUA 4AU 0.000001526 0.5583 36.4821
246 5JGA 6KC 0.0000005417 0.4569 36.5079
247 1U5R ATP 0.0000003051 0.58575 36.7164
248 2XVD AS6 0.000003624 0.4532 36.755
249 1JPA ANP 0.000007155 0.56954 36.859
250 4UX9 ANP 0.000000008506 0.6046 37.0149
251 2PVF ACP 0.00000005764 0.61716 37.1257
252 4FF8 14S 0.00602 0.41629 37.1517
253 3ALN ANP 0.00001101 0.49212 37.3089
254 4XLI 1N1 0.000004492 0.53549 37.3134
255 5MJA 7O3 0.00002403 0.51585 37.7049
256 3SLS ANP 0.000005212 0.49912 37.8289
257 5TA6 79D 0.000124 0.41491 37.9104
258 5JFS 6K0 0.000003455 0.40442 37.987
259 4TWP AXI 0.0000001485 0.41777 38.0074
260 3GQI ACP 0.0000001398 0.58507 38.0368
261 1O9U ADZ 0.0000009455 0.63943 38.209
262 4WB7 ATP 0.00000001395 0.47242 38.209
263 5HX8 66P 0.00000005219 0.52261 38.4106
264 3F7Z 34O 0.0000000139 0.62693 38.5075
265 5UR1 YY9 0.00002405 0.42199 38.5852
266 3FHI ANP 0.000000001382 0.56686 38.806
267 4WB6 ATP 0.000000002028 0.5634 38.806
268 2JLD AG1 0.00000009192 0.47012 38.806
269 3RI1 3RH 0.0000001767 0.51585 38.9776
270 3IDB ANP 0.0000000006205 0.61431 39.1045
271 2QCS ANP 0.00000000161 0.56518 39.1045
272 3ZRM ZRM 0.00000145 0.5441 39.1045
273 1RE8 BD2 0.000000005726 0.42896 39.1045
274 4NM5 ADP 0.00000006269 0.54802 39.403
275 4AT3 LTI 0.000012 0.43619 39.4649
276 4YMJ 4EJ 0.0000006058 0.63255 39.4737
277 1XJD STU 0.0000000005421 0.66435 40
278 2F57 23D 0.00008089 0.49212 40.0631
279 3IGO ANP 0.000006049 0.49249 40.597
280 5VC5 96M 0.000006557 0.4588 40.8304
281 5DBX ANP 0.0001168 0.49094 41.1585
282 4K33 ACP 0.0000001904 0.56719 41.2308
283 2WEL K88 0.00002917 0.54513 41.2844
284 3HZT J60 0.0000009427 0.59629 41.4925
285 2VZ6 FEF 0.000002098 0.57144 41.853
286 4I6H 1C8 0.0001687 0.45862 41.8831
287 3SXF BK5 0.000002609 0.42513 42.0896
288 4CSV STI 0.00002425 0.45647 42.1818
289 2V7O DRN 0.00000002154 0.68533 42.3881
290 3HMO STU 0.0000009254 0.56575 42.3881
291 2A19 ANP 0.0000005707 0.60659 42.6056
292 5FBN 5WF 0.00006422 0.4003 42.8044
293 3SXS PP2 0.000008994 0.49346 42.9104
294 4FG8 ATP 0.0000024 0.5187 43.4921
295 1ZY5 ANP 0.00006029 0.48776 43.8944
296 5UOX 8GY 0.00000000243 0.61164 44.2804
297 1U59 STU 0.000000005573 0.64362 44.5993
298 4QMN DB8 0.000006993 0.40981 44.8387
299 2VN9 GVD 0.000003835 0.5761 44.8505
300 1PHK ATP 0.00000001067 0.61405 44.9664
301 5N87 N66 0.0000007815 0.43475 45.0479
302 4D2S DYK 0.000000602 0.59645 46.831
303 2WEI VGG 0.0001102 0.48608 47.3868
304 2ZV2 609 0.000000005042 0.70371 48.3221
Pocket No.: 2; Query (leader) PDB : 3DLS; 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: 3dls.bio7) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3dls.bio7) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3dls.bio7) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found: 25
This union binding pocket(no: 5) in the query (biounit: 3dls.bio4) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3T01 PPF 0.01113 0.41059 1.87354
2 4D52 GXL 0.01229 0.41305 1.90476
3 3HP9 CF1 0.0135 0.41119 2.98507
4 1D4D SIN 0.0171 0.40316 2.98507
5 2OUA AES 0.004848 0.4355 3.19149
6 1XHL NDP 0.01383 0.41475 3.367
7 2G50 PYR 0.01611 0.40517 3.58209
8 4YZ5 SLT 0.01112 0.41975 4.47761
9 4IRX INS 0.005992 0.41639 5.74324
10 2XOC ADP 0.003127 0.44694 5.74713
11 2XOC ADE 0.009067 0.42247 5.74713
12 1UAS GLA 0.01364 0.40361 5.97015
13 1U1J MET 0.02911 0.40195 5.97015
14 1CBK ROI 0.01416 0.40847 6.25
15 4N14 WR7 0.02403 0.40266 6.36943
16 5F90 LMR 0.0216 0.40386 6.41026
17 3BP1 GUN 0.04167 0.40047 6.55172
18 3IHB GLU 0.01418 0.41549 7.16418
19 3HQP OXL 0.01761 0.40163 8.65672
20 1XDN ATP 0.002388 0.42593 9.38628
21 1I06 TZL 0.01922 0.40061 10.5556
22 1NBU PH2 0.006541 0.40084 14.2857
23 4Z4P SAH 0.005421 0.40406 18.0723
24 4NZF ARB 0.01656 0.40386 20.2985
25 5TO8 7FM 0.000006019 0.4028 37.9433
Pocket No.: 6; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found: 10
This union binding pocket(no: 6) in the query (biounit: 3dls.bio6) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2P3V SRT 0.007394 0.42166 2.73438
2 4XJ7 ADE 0.007693 0.41929 2.99625
3 2GCG DGY 0.007664 0.41919 3.33333
4 5DNC ASN 0.006379 0.4174 3.8806
5 3T1A 5MA 0.01127 0.40532 5.37313
6 1KC7 PPR 0.009124 0.40958 7.16418
7 4FE2 ADP 0.006032 0.40958 8.23529
8 4B1M FRU FRU 0.01583 0.40339 11.3514
9 4B1L FRU 0.006324 0.42363 12.7273
10 5D8U 0N8 0.01153 0.40067 14.7208
Pocket No.: 7; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found: 11
This union binding pocket(no: 7) in the query (biounit: 3dls.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZUX RAM 0.01823 0.40701 2.98507
2 1VKF CIT 0.01483 0.40757 3.19149
3 4L80 OXL 0.008317 0.42353 3.28358
4 1XXR MAN 0.01182 0.40338 3.72671
5 1FUT 2GP 0.0197 0.4011 3.77358
6 1JOT GAL A2G 0.009652 0.40591 5.26316
7 1WS4 AMG 0.009054 0.41096 6.76692
8 1WS4 GYP 0.009783 0.40932 6.76692
9 1TOQ AMG 0.01144 0.40304 6.76692
10 3LEK BCW 0.01708 0.40032 10.4575
11 1P7T PYR 0.01552 0.40313 11.0448
Pocket No.: 8; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found: 8
This union binding pocket(no: 8) in the query (biounit: 3dls.bio5) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1KJ1 MAN 0.0175 0.40015 1.83486
2 3L6R MLI 0.01641 0.4054 2.08955
3 1EI6 PPF 0.01132 0.40128 3.58209
4 5DXT 5H5 0.002412 0.40405 5.07463
5 5JNN 6LM 0.0177 0.40262 6.84211
6 3KDM TES 0.01126 0.40911 8
7 2ET1 GLV 0.006644 0.42515 13.4328
8 5JKG 6LF 0.000006092 0.40031 35.6913
Pocket No.: 9; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3dls.bio8) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3dls.bio8) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3dls.bio8) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3dls.bio3) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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