-->
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 117 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 91 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 60 families.
1 3DLS - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 452
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 5FA 0.887324 1
6 AQP 0.887324 1
7 AP5 0.884058 0.971831
8 B4P 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 SAP 0.8 0.945946
22 AGS 0.8 0.945946
23 AD9 0.8 0.972222
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 ABM 0.763889 0.917808
30 APC 0.763158 0.958904
31 PRX 0.763158 0.893333
32 ATF 0.759494 0.958904
33 A22 0.753086 0.985915
34 AP2 0.743243 0.958904
35 A12 0.743243 0.958904
36 SRA 0.736111 0.918919
37 ADQ 0.73494 0.945205
38 25L 0.732558 0.985915
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 A3R 0.714286 0.907895
44 ATR 0.708861 0.971429
45 ADP PO3 0.708861 0.943662
46 PAP 0.708861 0.985714
47 SRP 0.707317 0.906667
48 7D3 0.706667 0.905405
49 25A 0.702381 0.971831
50 9X8 0.697674 0.92
51 OAD 0.697674 0.945205
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.883117
55 OOB 0.682353 0.931507
56 5SV 0.682353 0.848101
57 8QN 0.682353 0.931507
58 3OD 0.681818 0.945205
59 BIS 0.681818 0.933333
60 ALF ADP 0.674699 0.87013
61 ADP ALF 0.674699 0.87013
62 AMO 0.674419 0.932432
63 4AD 0.674419 0.92
64 PAJ 0.674419 0.884615
65 GAP 0.670732 0.893333
66 MAP 0.670588 0.945946
67 AHX 0.666667 0.896104
68 VO4 ADP 0.666667 0.931507
69 DLL 0.666667 0.931507
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 LMS 0.653333 0.82716
75 LAD 0.651685 0.860759
76 WAQ 0.651685 0.883117
77 B5V 0.651685 0.906667
78 PR8 0.651685 0.85
79 ITT 0.65 0.943662
80 7D4 0.65 0.905405
81 G5P 0.648936 0.921053
82 XYA 0.647059 0.84507
83 ADN 0.647059 0.84507
84 RAB 0.647059 0.84507
85 1ZZ 0.644444 0.839506
86 ME8 0.644444 0.839506
87 FYA 0.644444 0.905405
88 NB8 0.644444 0.896104
89 TXA 0.644444 0.932432
90 6AD 0.642857 0.909091
91 ADP BMA 0.640449 0.918919
92 G3A 0.638298 0.921053
93 DAL AMP 0.632184 0.905405
94 AFH 0.631579 0.884615
95 9SN 0.630435 0.871795
96 9ZA 0.625 0.907895
97 DQV 0.625 0.958333
98 9ZD 0.625 0.907895
99 GTA 0.625 0.886076
100 YAP 0.623656 0.894737
101 B5M 0.623656 0.894737
102 FA5 0.623656 0.906667
103 B5Y 0.623656 0.894737
104 UP5 0.622449 0.92
105 HFD 0.619048 0.945946
106 XAH 0.617021 0.839506
107 AV2 0.616279 0.917808
108 AOC 0.615385 0.821918
109 48N 0.612245 0.896104
110 4UV 0.610526 0.894737
111 6V0 0.606061 0.896104
112 NAI 0.606061 0.907895
113 DND 0.606061 0.932432
114 NAX 0.606061 0.873418
115 NXX 0.606061 0.932432
116 TXD 0.606061 0.907895
117 5N5 0.605634 0.819444
118 5AS 0.604938 0.77907
119 A4P 0.60396 0.843373
120 DAT 0.60241 0.905405
121 A2R 0.602273 0.985915
122 TXE 0.6 0.907895
123 OMR 0.6 0.851852
124 4UU 0.597938 0.894737
125 GA7 0.597938 0.906667
126 A A 0.597826 0.944444
127 A4D 0.597222 0.819444
128 5CD 0.597222 0.805556
129 AP0 0.594059 0.896104
130 4TC 0.594059 0.896104
131 A3P 0.592593 0.971429
132 T5A 0.592233 0.841463
133 139 0.592233 0.873418
134 7D5 0.592105 0.878378
135 ATP A A A 0.589474 0.930556
136 LAQ 0.585859 0.839506
137 MYR AMP 0.585106 0.817073
138 F2R 0.580952 0.864198
139 YLP 0.58 0.819277
140 UPA 0.578431 0.907895
141 7DD 0.578313 0.985714
142 3AM 0.576923 0.929577
143 ADJ 0.576923 0.851852
144 COD 0.575472 0.811765
145 NAD 0.575472 0.931507
146 3AT 0.574713 0.971831
147 JB6 0.574468 0.883117
148 4UW 0.574257 0.860759
149 EP4 0.573333 0.753247
150 A2P 0.573171 0.957143
151 CNA 0.571429 0.932432
152 TYM 0.568627 0.906667
153 PPS 0.568182 0.873418
154 DTA 0.565789 0.786667
155 M2T 0.565789 0.734177
156 AR6 AR6 0.565657 0.917808
157 A3D 0.564815 0.918919
158 80F 0.564815 0.841463
159 3DH 0.564103 0.773333
160 G5A 0.563218 0.77907
161 YLB 0.563107 0.819277
162 YLC 0.563107 0.839506
163 AMP DBH 0.561224 0.893333
164 TYR AMP 0.561224 0.87013
165 MTA 0.558442 0.773333
166 DTP 0.556818 0.905405
167 AHZ 0.554455 0.817073
168 NA7 0.553191 0.958904
169 IOT 0.552381 0.831325
170 ZAS 0.55 0.766234
171 7MD 0.55 0.8625
172 ARG AMP 0.55 0.829268
173 IMO 0.548781 0.929577
174 YLA 0.54717 0.819277
175 NAE 0.544643 0.894737
176 TAD 0.544554 0.884615
177 A5A 0.544444 0.807229
178 2AM 0.544304 0.943662
179 TSB 0.543478 0.819277
180 6RE 0.54321 0.759494
181 AYB 0.542056 0.809524
182 NAQ 0.539823 0.871795
183 V3L 0.539326 0.971831
184 SSA 0.538462 0.8
185 AF3 ADP 3PG 0.538462 0.8375
186 ZID 0.535088 0.918919
187 LPA AMP 0.533981 0.817073
188 52H 0.532609 0.77907
189 VMS 0.532609 0.788235
190 54H 0.532609 0.788235
191 BTX 0.53211 0.841463
192 A3N 0.53012 0.786667
193 J7C 0.53012 0.769231
194 5X8 0.528736 0.763158
195 BT5 0.527273 0.831325
196 8X1 0.526882 0.752809
197 5CA 0.526882 0.8
198 53H 0.526882 0.77907
199 ARU 0.526316 0.860759
200 EAD 0.525862 0.873418
201 RGT 0.525253 0.958904
202 OVE 0.52439 0.905405
203 S4M 0.52381 0.666667
204 7DT 0.522727 0.985714
205 GDP 0.522222 0.92
206 DDS 0.522222 0.878378
207 AVV 0.521277 0.896104
208 NDE 0.521008 0.932432
209 7MC 0.518868 0.841463
210 DSH 0.518072 0.725
211 MAO 0.517647 0.759036
212 NSS 0.515789 0.8
213 DSZ 0.515789 0.8
214 LSS 0.515789 0.761364
215 P5A 0.515464 0.744444
216 DZD 0.513514 0.884615
217 NVA LMS 0.510417 0.752809
218 9K8 0.510204 0.714286
219 12D 0.509615 0.785714
220 M24 0.508772 0.85
221 YLY 0.508772 0.809524
222 P1H 0.508333 0.851852
223 5AD 0.506849 0.746479
224 GJV 0.505882 0.75
225 LEU LMS 0.505155 0.752809
226 AMP NAD 0.504505 0.905405
227 4TA 0.504505 0.807229
228 G A A A 0.504505 0.871795
229 NAJ PZO 0.504425 0.848101
230 GSU 0.5 0.77907
231 128 0.5 0.776471
232 KAA 0.5 0.752809
233 71V 0.5 0.907895
234 A3G 0.5 0.8
235 NDC 0.5 0.871795
236 7D7 0.5 0.743243
237 N0B 0.495726 0.819277
238 NJP 0.495495 0.945946
239 ODP 0.495495 0.909091
240 2SA 0.494624 0.932432
241 6C6 0.494505 0.881579
242 SFG 0.494382 0.75
243 0WD 0.491071 0.921053
244 YSA 0.490196 0.77907
245 PO4 PO4 A A A A PO4 0.489796 0.902778
246 SAM 0.48913 0.690476
247 6IA 0.48913 0.8375
248 A7D 0.488636 0.776316
249 6FA 0.488 0.841463
250 FB0 0.487805 0.804598
251 NAJ PYZ 0.487179 0.807229
252 A5D 0.483516 0.786667
253 IDP 0.483516 0.918919
254 SA8 0.483516 0.707317
255 PGS 0.483146 0.883117
256 MHZ 0.483146 0.697674
257 DA 0.482353 0.878378
258 D5M 0.482353 0.878378
259 NEC 0.482353 0.746667
260 NIA 0.481928 0.822785
261 Y3J 0.480519 0.726027
262 8PZ 0.480392 0.8
263 FAD 0.480315 0.851852
264 FAS 0.480315 0.851852
265 FDA 0.48 0.833333
266 N6P 0.479592 0.915493
267 GGZ 0.479167 0.825
268 U A 0.478261 0.907895
269 SAH 0.478261 0.74359
270 SAI 0.478261 0.734177
271 A G 0.477876 0.883117
272 NPW 0.477477 0.886076
273 NDP 0.477477 0.921053
274 AAM 0.476744 0.971429
275 C2R 0.47561 0.90411
276 AMZ 0.47561 0.916667
277 A A A 0.474747 0.905405
278 GTP 0.473684 0.92
279 U A G G 0.473684 0.883117
280 SMM 0.473684 0.686047
281 NZQ 0.473214 0.909091
282 TXP 0.473214 0.921053
283 A3S 0.47191 0.810811
284 SFD 0.46875 0.734043
285 AIR 0.468354 0.901408
286 AAT 0.468085 0.707317
287 EEM 0.468085 0.690476
288 J7V 0.466667 0.833333
289 Z5A 0.466667 0.77907
290 7C5 0.466667 0.818182
291 62F 0.465649 0.8625
292 HDV 0.463158 0.893333
293 FAY 0.462121 0.8625
294 A3T 0.461538 0.821918
295 ETB 0.461538 0.833333
296 DCA 0.461538 0.823529
297 A6D 0.46 0.722892
298 A U 0.459459 0.87013
299 GEK 0.459184 0.7375
300 6K6 0.459184 0.930556
301 RFL 0.458647 0.821429
302 NAP 0.458333 0.945205
303 S7M 0.458333 0.690476
304 4YB 0.457944 0.761364
305 WSA 0.454545 0.788235
306 TAP 0.454545 0.907895
307 FNK 0.454545 0.804598
308 COA 0.453782 0.823529
309 0T1 0.453782 0.823529
310 101 0.453488 0.878378
311 XNP 0.452174 0.873418
312 NA0 0.45082 0.932432
313 7RP 0.448276 0.928571
314 GP3 0.446809 0.921053
315 TM1 0.446602 0.77381
316 APU 0.446429 0.894737
317 PUA 0.445378 0.884615
318 V1N 0.443396 0.917808
319 7RA 0.443182 0.957747
320 COS 0.442623 0.804598
321 AMX 0.442623 0.833333
322 30N 0.442623 0.752688
323 CAO 0.442623 0.795455
324 QQY 0.44186 0.815789
325 ACK 0.44186 0.861111
326 649 0.441441 0.744444
327 0UM 0.44 0.698795
328 NHD 0.439655 0.905405
329 CMX 0.439024 0.823529
330 SCO 0.439024 0.823529
331 GCP 0.438776 0.896104
332 8BR 0.438202 0.906667
333 GNH 0.4375 0.907895
334 8Q2 0.4375 0.772727
335 3AD 0.4375 0.805556
336 NVA 2AD 0.43617 0.759494
337 62X 0.435644 0.666667
338 FCX 0.435484 0.795455
339 ACO 0.435484 0.795455
340 FAM 0.435484 0.804598
341 9JJ 0.434783 0.8625
342 GNP 0.434343 0.896104
343 9GM 0.434343 0.896104
344 NMX 0.433071 0.76087
345 MGP 0.43299 0.884615
346 26A 0.432099 0.763158
347 HAX 0.432 0.804598
348 K15 0.431373 0.682353
349 DG1 0.430894 0.921053
350 1DG 0.430894 0.921053
351 QQX 0.430233 0.805195
352 2VA 0.430108 0.8
353 S8M 0.43 0.759494
354 2MC 0.429688 0.769231
355 6G0 0.428571 0.884615
356 P5F 0.428571 0.823529
357 FYN 0.428571 0.823529
358 3KK 0.428571 0.804598
359 A C A C 0.428571 0.848101
360 7L1 0.427419 0.795455
361 FAI 0.426966 0.916667
362 RMB 0.426966 0.873239
363 AS 0.426966 0.833333
364 1RB 0.425287 0.885714
365 CA6 0.425197 0.729167
366 SOP 0.425197 0.804598
367 OXK 0.425197 0.804598
368 MCD 0.425197 0.804598
369 COK 0.425197 0.804598
370 G1R 0.424242 0.907895
371 SXZ 0.423077 0.710843
372 CC5 0.423077 0.816901
373 F2N 0.422535 0.813953
374 EO7 0.422222 0.788235
375 ANZ 0.422018 0.8
376 1VU 0.421875 0.795455
377 CMC 0.421875 0.804598
378 CO6 0.421875 0.804598
379 ZDA 0.421053 0.864865
380 GKE 0.420561 0.884615
381 GDC 0.420561 0.884615
382 GDD 0.420561 0.884615
383 NFD 0.420168 0.883117
384 GSP 0.42 0.873418
385 D3Y 0.42 0.789474
386 MC4 0.419847 0.76087
387 3D1 0.419753 0.773333
388 3L1 0.419753 0.773333
389 FA9 0.41958 0.864198
390 5GP 0.419355 0.906667
391 G 0.419355 0.906667
392 KB1 0.419048 0.698795
393 CAJ 0.418605 0.804598
394 SCD 0.418605 0.823529
395 CMP 0.417582 0.901408
396 2BA 0.417582 0.915493
397 SO8 0.416667 0.789474
398 VRT 0.416667 0.769231
399 N01 0.416667 0.905405
400 IVC 0.415385 0.813953
401 1HE 0.415385 0.786517
402 A1S 0.415385 0.804598
403 BCO 0.415385 0.804598
404 3HC 0.415385 0.813953
405 MLC 0.415385 0.804598
406 NMN AMP PO4 0.415254 0.87013
407 2FA 0.414634 0.813333
408 MGO 0.414141 0.860759
409 3NZ 0.413462 0.782051
410 COO 0.412214 0.804598
411 MCA 0.412214 0.795455
412 YE1 0.412214 0.813953
413 CAA 0.412214 0.813953
414 GAV 0.411765 0.884615
415 PRT 0.411215 0.931507
416 JLN 0.411111 0.890411
417 P2P 0.411111 0.902778
418 ZZB 0.410256 0.77381
419 SP1 0.409091 0.842105
420 RP1 0.409091 0.842105
421 2CP 0.409091 0.795455
422 SCA 0.409091 0.804598
423 103 0.409091 0.837838
424 PAX 0.408 0.829268
425 FAD NBT 0.407143 0.75
426 COW 0.406015 0.795455
427 3CP 0.406015 0.804598
428 IRC 0.406015 0.813953
429 BYC 0.406015 0.804598
430 CA8 0.406015 0.729167
431 1GZ 0.406015 0.795455
432 COF 0.406015 0.786517
433 HGG 0.406015 0.804598
434 2KQ 0.406015 0.786517
435 G2P 0.405941 0.884615
436 SLU 0.404959 0.770115
437 U A C C 0.404959 0.858974
438 RBZ 0.404494 0.849315
439 1CZ 0.404412 0.795455
440 FAQ 0.402985 0.804598
441 BCA 0.402985 0.795455
442 4CA 0.402985 0.795455
443 MTP 0.402439 0.730769
444 8OD 0.402062 0.945205
445 CO7 0.401515 0.804598
446 GRA 0.4 0.804598
447 G2R 0.4 0.884615
448 ENQ 0.4 0.916667
449 CNV FAD 0.4 0.8
450 GMV 0.4 0.896104
451 HXC 0.4 0.786517
452 HF7 0.4 0.893333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found with APoc: 458
This union binding pocket(no: 1) in the query (biounit: 3dls.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5A7C 5D4 None
2 5XLS URA 0.895522
3 5EXK 5AD 0.906344
4 4CC6 L5Y 0.943396
5 2HGS ADP 1.49254
6 2Q7D ANP 1.49254
7 2QK4 ATP 1.49254
8 1E4E ADP 1.49254
9 1S68 AMP 1.60643
10 1OBD ATP 1.63399
11 2GQR ADP 1.68776
12 3UDZ ADP 1.79104
13 6FL8 ADP 1.79104
14 6FL8 TIY 1.79104
15 4U98 ACP 1.79104
16 1F0X FAD 1.79104
17 2Q4W FAD 1.79104
18 5ERR ADP 1.79104
19 4GLW 0XT 1.96721
20 2IO8 ADP 2.08955
21 4UWH JXM 2.08955
22 2V58 LZJ 2.08955
23 5COU ATP 2.08955
24 4MV1 ADP 2.08955
25 3K5I ADP 2.08955
26 5OLK DTP 2.08955
27 3K5I AIR 2.08955
28 1V8B NAD 2.08955
29 3FSY SCA 2.10843
30 4NFE BEN 2.1097
31 2F7C CCU 2.14592
32 3DNT ATP 2.38806
33 4PU5 ANP 2.38806
34 5VLQ ANP 2.38806
35 3ETH ATP 2.38806
36 2VQD AP2 2.38806
37 3VSV XYS 2.38806
38 3GE7 AFQ 2.38806
39 4WTV ATP 2.38806
40 2XCU C5P 2.38806
41 2QE0 NAP 2.38806
42 1ZGS XMM 2.38806
43 6F5W KG1 2.38806
44 5VSM MET 2.51572
45 4NZ6 DGL 2.55591
46 4EN4 GT1 2.5641
47 4EN4 ATP 2.5641
48 4EN4 GT0 2.5641
49 4NJH SAM 2.6087
50 4NJH 2K8 2.6087
51 5ZCT ANP 2.61438
52 6CGD AKN 2.62295
53 6CGD GNP 2.62295
54 2WPB ZZI 2.63158
55 5IH1 GDP 2.64901
56 5IH1 6BQ 2.64901
57 1M3U KPL 2.65152
58 5I35 ANP 2.68657
59 5TT5 NAD 2.68657
60 1KJ8 ATP 2.68657
61 1KJ8 GAR 2.68657
62 1YBH FAD 2.68657
63 3HQ9 OXL 2.68657
64 2BO4 FLC 2.68657
65 3A23 GAL 2.68657
66 3P7N FMN 2.71318
67 4NZN 2OU 2.72727
68 4NZN ANP 2.72727
69 2P3V SRT 2.73438
70 2HFK E4H 2.82132
71 1AUX AGS 2.89389
72 4R78 AMP 2.91262
73 1B09 PC 2.91262
74 5MW8 ATP 2.98507
75 2YW2 ATP 2.98507
76 2YRX AMP 2.98507
77 3ZS7 ATP 3
78 1Z2P I3S 3.08642
79 1Z2P ACP 3.08642
80 1XKQ NDP 3.21429
81 4ZS4 ATP 3.25733
82 5C1P DAL DAL 3.26797
83 5C1P ADP 3.26797
84 1TZD ADP 3.27273
85 2IF8 ADP 3.28358
86 3WO0 ADP 3.28358
87 3WO0 ALA 3.28358
88 5L2R MLA 3.28358
89 1NJJ GET 3.28358
90 1W2D ADP 3.39623
91 1W2D 4IP 3.39623
92 4LH7 1X8 3.40557
93 3ORQ ADP 3.44828
94 3WDM ADN 3.44828
95 2AQX ATP 3.46021
96 2YI0 YI0 3.49345
97 1T36 ADP 3.58209
98 5AE9 OKO 3.58209
99 2VPQ ANP 3.58209
100 1EHI ADP 3.58209
101 3X01 AMP 3.58209
102 6EZ6 C5Z 3.58209
103 2G50 PYR 3.58209
104 4EUE NAI 3.58209
105 3PDT ADP 3.63636
106 2Y7P SAL 3.66972
107 5VZ0 ADP 3.8806
108 5DNC ASN 3.8806
109 4R8L ASP 3.8806
110 1VRP IOM 3.8806
111 5OC1 ANN 3.8806
112 3CQ5 PMP 3.8806
113 1IOW PHY 3.92157
114 1IOW ADP 3.92157
115 3TBK ANP 3.96396
116 1ZX5 LFR 4
117 4IZC 1GZ 4
118 5WBF LAC 4.07407
119 1GSA ADP 4.11392
120 5TDF ADP 4.1791
121 2XN2 GLA 4.1791
122 4K38 SAM 4.1791
123 1NVM NAD 4.1791
124 4K39 SAM 4.1791
125 6B3P GLC GLC GLC GLC 4.30622
126 2JFZ DGL 4.31373
127 2PHN GDP 4.33071
128 3HAV ATP 4.34783
129 5EB3 UEG 4.40252
130 3W0O HY0 4.47761
131 3W0O ADP 4.47761
132 1M0W ANP 4.47761
133 4B7X NAP 4.47761
134 6C74 PC 4.5045
135 4JGP PYR 4.60829
136 3KP6 SAL 4.63576
137 1IA9 ANP 4.64286
138 1KHT AMP 4.6875
139 5TT6 ATP 4.77612
140 1Z6K OAA 4.77816
141 5QB1 F1C 4.93827
142 3VPB ADP 4.96454
143 3VPC ADP 4.96454
144 4J4H NAI 5.01931
145 3PN1 IVH 5.03145
146 2QX0 PH2 5.03145
147 2BMB PMM 5.07463
148 5FI4 5XV 5.07463
149 5DXT 5H5 5.07463
150 2Q4H AMP 5.07463
151 4RDL FUC GAL NDG FUC 5.19481
152 1OS7 AKG 5.30035
153 5YK1 ANP 5.37313
154 3SIG AR6 5.41516
155 1ZTH ADP 5.42636
156 1ZP9 ATP 5.42636
157 2OVD DAO 5.49451
158 4DFU QUE 5.59006
159 5T9C G3P 5.59701
160 5C4L 4XR 5.60748
161 5C4L SIS 5.60748
162 4O4F ATP 5.64516
163 4O4F IHP 5.64516
164 5DZT AMP 5.67164
165 5LY2 OGA 5.67164
166 5FWE OGA 5.67164
167 4C5N PXL 5.7971
168 4C5N ACP 5.7971
169 1TL2 NDG 5.9322
170 4GYI ADP 5.97015
171 4CYI ATP 5.97015
172 5EQY 5RA 5.97015
173 1OIJ AKG 5.98007
174 4XYM A12 6.08696
175 4XZ3 ACP 6.08696
176 1CBK ROI 6.25
177 4PZ6 GMP 6.26866
178 5XNC MTA 6.26866
179 3IAA TYD 6.26866
180 5F90 GLA GAL 6.41026
181 3TM0 ANP 6.46388
182 3TM0 B31 6.46388
183 4OCJ NDG 6.56716
184 4AZW ATP 6.56716
185 3WVR AMP 6.56716
186 3TII ANP 6.56716
187 4Q5H ANP 6.57895
188 6E2B PT7 6.57895
189 3OJF IMJ 6.61479
190 3OJF NDP 6.61479
191 1KUJ MMA 6.76692
192 1WS5 MMA 6.76692
193 1JAC AMG 6.76692
194 1UGY GLA BGC 6.76692
195 1ZK4 NAP 6.77291
196 2QF7 AGS 6.86567
197 1Q9I TEO 6.86567
198 1Q9I FAD 6.86567
199 1ELI PYC 6.86567
200 5IGI GMP 6.97674
201 5IGI ZIT 6.97674
202 2RIF AMP 7.0922
203 2PYW ADP 7.16418
204 4OCV ANP 7.16418
205 2PUL ACP 7.16418
206 6C1S EFV 7.16418
207 3I0O ADP 7.16418
208 2I0K FAD 7.16418
209 1I7L ATP 7.44337
210 4O1P ANP 7.46269
211 1CKN GTP 7.57576
212 1CKM GTP 7.57576
213 1TQP ATP 7.80142
214 1MLD CIT 7.96178
215 5WS9 AMP 8.0597
216 4IX4 ADP 8.35821
217 3KAL ADP 8.35821
218 5OES ADP 8.35821
219 2CFM AMP 8.35821
220 5IM3 DTP 8.35821
221 3V4S ADP 8.65672
222 3V4S ATP 8.65672
223 2BKK ADP 8.87574
224 3VOT ADP 8.95522
225 5GZ9 ANP 9.18033
226 1PVN MZP 9.25373
227 3QVP FAD 9.25373
228 3TDV GDP 9.47712
229 1PK8 ATP 9.55224
230 2YFO GLA 9.55224
231 2YFO GAL 9.55224
232 1U6R IOM 9.55224
233 3B6R CRN 9.55224
234 4ZGP ADP 9.55631
235 5WKC FAD 9.85075
236 1T9D FAD 9.85075
237 3VPD ANP 9.96441
238 4OAV ACP 10.0143
239 3AB4 THR 10.1124
240 1KDK DHT 10.1695
241 5LXT ACP 10.4895
242 6E8I PTR 10.6509
243 3TY5 ADP 12.5373
244 3TY5 ATP 12.5373
245 4CS9 AMP 12.6984
246 2R7K AMZ 13.4328
247 2R7K ACP 13.4328
248 3PAK MAN 13.5135
249 5K2M ADP 13.5531
250 3KMW ATP 13.6531
251 4WN5 MVC 13.913
252 5FS0 5JC 14.218
253 1NBU PH2 14.2857
254 5OSW DIU 14.9254
255 5CKW ANP 17.3134
256 5WNL STU 18.5075
257 4NZF ARB 20.2985
258 3VHE 42Q 20.8955
259 3LXK MI1 21.4067
260 5USZ SKE 22.1453
261 4KBA 1QM 22.3565
262 2GQS ADP 22.3629
263 2CSN CKI 22.8956
264 3LQV ADE 23.0769
265 6C90 ADP 23.0769
266 5OKT 9XK 23.5669
267 3GNI ATP 23.8806
268 4Y85 499 24.0964
269 4CRL C1I 25.1232
270 2OO8 RAJ 25.552
271 4WW7 AMP 25.6684
272 4E93 GUI 26.2687
273 4H3Q ANP 26.5672
274 4H3P ANP 26.5672
275 3C1X CKK 26.5672
276 5BVE 4VG 26.5672
277 1VJY 460 26.7327
278 4QTB 38Z 26.8657
279 3H9R TAK 26.9697
280 5T8O 76Z 27.4627
281 5EOB 5QQ 27.8997
282 6GIN IR2 27.907
283 3UIM ANP 27.9141
284 3LXN MI1 27.9874
285 4ASE AV9 28.0597
286 5C03 AGS 28.0597
287 6GWR FEW 28.254
288 4IDT T28 28.3582
289 4YZC STU 28.3951
290 5Y86 HRM 28.6567
291 4FL3 ANP 28.6567
292 3E8N VRA 28.9552
293 3E8N ATP 28.9552
294 4WOV 3SM 29.0221
295 4U0I 0LI 29.2063
296 5LPZ ADP 29.2169
297 2WU6 DKI 29.2537
298 2B9J ADP 29.2537
299 2B9I ADP 29.2537
300 5AWM ANP 29.2537
301 2B9H ADP 29.2537
302 2B9F ADP 29.2537
303 4NST ADP 29.2537
304 4BTK DTQ 29.2537
305 5KO1 6UY 29.3286
306 4WNK 453 29.5522
307 5ZTN CUR 29.5522
308 3E7O 35F 29.5522
309 4AG8 AXI 29.7468
310 4GJ3 0XP 29.8013
311 5QIN J2V 30.0633
312 1OPK P16 30.1493
313 5EKO N17 30.1493
314 3TTI KBI 30.4478
315 4WHZ 3NL 30.4478
316 5U6C 7YS 30.4762
317 2QLU ADE 30.5732
318 5HES 032 30.6189
319 4XH0 ADP 30.7463
320 2X2M X2M 30.8917
321 3GC8 B45 31.0448
322 5HCY 60D 31.1178
323 5LI1 ANP 31.3433
324 2F2U M77 31.3433
325 5LI9 ACP 31.3433
326 5NKB 8ZT 31.3725
327 2OFV 242 31.4079
328 3GC0 AMP 31.6109
329 4E1Z 0MX 31.6151
330 4DC2 ADE 31.6418
331 1OUK 084 31.6418
332 4LOO SB4 31.6418
333 3BU5 ATP 31.6993
334 1IR3 ANP 31.6993
335 2BPM 529 31.7152
336 3EKK GS2 31.9218
337 4EWH T77 32.3636
338 5HQ0 LZ9 32.4503
339 6GU6 1QK 32.4503
340 2Y6O 1N1 32.646
341 5LPB ADP 32.7703
342 5EFQ ADP 32.8358
343 3PVW QRX 32.8358
344 5UKL SIX 32.8358
345 2XMY CDK 32.8859
346 5CEO 50D 33
347 4CFU 2WC 33.0033
348 4CLI 5P8 33.0275
349 6GUE FB8 33.1126
350 3VRY B43 33.1343
351 4BCQ TJF 33.2226
352 4BCM T7Z 33.2226
353 4BCN T9N 33.3333
354 1BYG STU 33.4532
355 6FYV 3NG 33.5312
356 3PLS ANP 33.557
357 5LMK 6ZK 33.67
358 3BZ3 YAM 33.6957
359 1CM8 ANP 33.7313
360 3PP0 03Q 34.0237
361 2HK5 1BM 34.0741
362 4Y93 746 34.3284
363 5X8I SQZ 34.6269
364 4OTH DRN 34.6269
365 6G33 5ID 34.6269
366 5MY8 RXZ 34.6269
367 4AU8 Z3R 34.7973
368 3NW7 LGV 34.8534
369 6FYL 3NG 34.9254
370 4PNI KQQ 34.9254
371 4L9I 8PR 34.9254
372 3O0G 3O0 34.9315
373 1UNH IXM 34.9315
374 1V0O INR 35.0694
375 4P5Z Q7M 35.2239
376 3KRL KRL 35.2239
377 1RV1 IMZ 35.2941
378 6ES0 BW8 35.3312
379 2H8H H8H 35.5224
380 1Y57 MPZ 35.5224
381 4BHN BH9 35.6287
382 5JKG 6LF 35.6913
383 1K3A ACP 35.786
384 3TXO 07U 35.8209
385 5H2U 1N1 35.9551
386 6GQM F8H 35.9756
387 3SRV S19 36.1011
388 6CZ3 FLJ 36.3636
389 6A1G 9OL 36.4179
390 4AUA 4AU 36.4821
391 5JGA 6KC 36.5079
392 4F4P 0SB 36.63
393 1U5R ATP 36.7164
394 2XVD AS6 36.755
395 1JPA ANP 36.859
396 1SQL GUN 36.9863
397 4UX9 ANP 37.0149
398 2PVF ACP 37.1257
399 4FF8 14S 37.1517
400 4UXL 5P8 37.2671
401 3ALN ANP 37.3089
402 5MJA 7O3 37.7049
403 3SLS ANP 37.8289
404 6C0T EE4 37.9104
405 5TA6 79D 37.9104
406 5TO8 7FM 37.9433
407 5JFS 6K0 37.987
408 4TWP AXI 38.0074
409 3GQI ACP 38.0368
410 4WB7 ATP 38.209
411 1O9U ADZ 38.209
412 5WO4 B7V 38.4106
413 3F7Z 34O 38.5075
414 5UR1 YY9 38.5852
415 3FHI ANP 38.806
416 4WB6 ATP 38.806
417 2JLD AG1 38.806
418 2GU8 796 38.8724
419 3RI1 3RH 38.9776
420 1RE8 BD2 39.1045
421 3IDB ANP 39.1045
422 2QCS ANP 39.1045
423 3ZRM ZRM 39.1045
424 4NM5 ADP 39.403
425 3FC2 IBI 39.403
426 4AT3 LTI 39.4649
427 4YMJ 4EJ 39.4737
428 1XJD STU 40
429 2F57 23D 40.0631
430 6E2O S0L 40.339
431 3IGO ANP 40.597
432 5VC5 96M 40.8304
433 6C7Y ADP 40.9091
434 5DBX ANP 41.1585
435 4K33 ACP 41.2308
436 3G5D 1N1 41.2587
437 2WEL K88 41.2844
438 3HZT J60 41.4925
439 2VZ6 FEF 41.853
440 4I6H 1C8 41.8831
441 4ONA UW1 42.0896
442 4CSV STI 42.1818
443 2V7O DRN 42.3881
444 3HMO STU 42.3881
445 4RFM 3P6 42.4812
446 2A19 ANP 42.6056
447 5FBN 5WF 42.8044
448 3SXS PP2 42.9104
449 4FG8 ATP 43.4921
450 1ZY5 ANP 43.8944
451 1U59 STU 44.5993
452 4QMN DB8 44.8387
453 2VN9 GVD 44.8505
454 6CMJ F6J 44.8598
455 1PHK ATP 44.9664
456 5N87 N66 45.0479
457 2WEI VGG 47.3868
458 2ZV2 609 48.3221
459 5EH0 5NW 50
Pocket No.: 2; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found with APoc: 46
This union binding pocket(no: 3) in the query (biounit: 3dls.bio7) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZEI CRS None
2 4D52 GXL 1.90476
3 2AIB ERG 2.04082
4 4C3Y FAD 2.08955
5 4C3Y ANB 2.08955
6 5O98 NAP 2.08955
7 1OLT SAM 2.18818
8 2F9W PAU 2.21402
9 3UA1 08Y 2.25873
10 5T2U NAP 2.41935
11 4L80 OXL 3.28358
12 2GCG DGY 3.33333
13 2ZYI STE 3.58209
14 1GPE FAD 3.8806
15 4EWN 0VR 3.95257
16 4K37 SAM 4.1791
17 5NTW 98N 5.05837
18 3A7R LAQ 5.07463
19 1JG3 ADN 5.53191
20 6F97 FAD 5.67164
21 4IRX INS 5.74324
22 2XOC ADE 5.74713
23 1UAS GLA 5.97015
24 5JM8 ATP 5.97015
25 4WOE 3S5 6.26866
26 3RSC TYD 6.26866
27 3CEV ARG 6.35452
28 5F90 LMR 6.41026
29 5Z2L NDP 6.53061
30 5JNN 6LM 6.84211
31 4KWI 1TJ 6.84411
32 4KWI NAP 6.84411
33 3KDM TES 8
34 5WS9 OXL 8.0597
35 5UR6 8KM 8.35821
36 3HQP OXL 8.65672
37 1N5D NDP 9.375
38 2GAG FOA 10.101
39 2GAG FAD 10.101
40 6G5J EM8 10.303
41 5OWC AYZ 11.4754
42 4K4D HFQ 11.6788
43 4B1L FRU 12.7273
44 5AEW BNL 13.2979
45 5DJT FMN 14.7541
46 1JBU BEN 26.6667
Pocket No.: 4; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found with APoc: 35
This union binding pocket(no: 4) in the query (biounit: 3dls.bio7) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2VWT PYR 2.62172
2 2ZUX RAM 2.98507
3 2UXR ICT 2.98507
4 5XXH E0D 3.00752
5 1VKF CIT 3.19149
6 4QAC KK3 3.22581
7 1XHL NDP 3.367
8 5EK3 5PK 3.58209
9 1U1W 3HA 3.69128
10 1XXR MAN 3.72671
11 1P6O HPY 3.72671
12 1FUT 2GP 3.77358
13 4YZ5 SLT 4.47761
14 4XQC NAD 4.47761
15 2HJR CIT 5.18293
16 1JOT GAL A2G 5.26316
17 1U1J MET 5.97015
18 2AQJ FAD 6.26866
19 2AQJ TRP 6.26866
20 3BP1 GUN 6.55172
21 3KFC 61X 6.71937
22 1WS4 AMG 6.76692
23 1WS4 GYP 6.76692
24 1UGW GAL 6.76692
25 1TOQ AMG 6.76692
26 4AKB GAL 6.76692
27 3IHB GLU 7.16418
28 6EAC ANP 7.16418
29 1AOE NDP 8.33333
30 1AOE GW3 8.33333
31 4RIF 3R2 9.23483
32 1XDN ATP 9.38628
33 4L9Z OXL 9.55224
34 3LEK BCW 10.4575
35 1P7T PYR 11.0448
Pocket No.: 5; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found with APoc: 27
This union binding pocket(no: 5) in the query (biounit: 3dls.bio4) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4HIA FMN None
2 4R5Z PMP 1.49254
3 2ZB4 5OP 1.49254
4 2ZB4 NAP 1.49254
5 3T01 PPF 1.87354
6 3NUG NAD 2.83401
7 3HP9 CF1 2.98507
8 1D4D SIN 2.98507
9 2R2N PMP 2.98507
10 2OUA AES 3.19149
11 5CGE 51F 3.2491
12 3FXU TSU 3.60656
13 4RP9 ASC 3.8806
14 4PQG UDP 3.91389
15 2DM6 IMN 4.2042
16 2DM6 NAP 4.2042
17 3UG4 AHR 5.07463
18 6DWI HD4 5.34979
19 1ZHX HC3 5.37313
20 2XOC ADP 5.74713
21 3R9C ECL 6.26866
22 4N14 WR7 6.36943
23 6MJ7 ARG 9.09091
24 2QHD DAO 9.83607
25 1UU1 PMP HSA 9.85075
26 1I06 TZL 10.5556
27 4Z4P SAH 18.0723
Pocket No.: 6; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found with APoc: 33
This union binding pocket(no: 6) in the query (biounit: 3dls.bio6) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 6BWL NAD 1.82927
2 1VKO NAD 2.38806
3 3W8X FTK 2.68657
4 3W8X FAD 2.68657
5 5AOV GLV 2.98507
6 4GCZ FMN 2.98507
7 4XJ7 ADE 2.99625
8 6F5U CQN 4.16667
9 3RFA SAM 4.47761
10 5WQP NAP 4.70085
11 4R38 RBF 5
12 4KM2 TOP 5.02793
13 3LOO B4P 5.07463
14 3T1A 5MA 5.37313
15 5WA9 9ZD 5.42636
16 4WUJ FMN 5.44218
17 2FR6 URI 5.47945
18 2FR6 CTN 5.47945
19 5G3N X28 5.51181
20 1NAA 6FA 5.67164
21 4ZOH MCN 5.95238
22 4CL6 7SB 7.01754
23 1KC7 PPR 7.16418
24 5WXU FLC 8.0597
25 1T0S BML 8.13953
26 3T4L ZEA 8.14815
27 4FE2 ADP 8.23529
28 5CSD ACD 9.43396
29 6EL3 NAP 9.85075
30 4B1M FRU FRU 11.3514
31 1VDC FAD 14.7147
32 2XN3 ID8 15
33 3CR3 ADP 17.3554
Pocket No.: 7; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3dls.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found with APoc: 16
This union binding pocket(no: 8) in the query (biounit: 3dls.bio5) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1KJ1 MAN 1.83486
2 3L6R MLI 2.08955
3 1WMA AB3 2.89855
4 1WMA NDP 2.89855
5 3H86 AP5 3.125
6 3HY3 10F 3.44828
7 1EI6 PPF 3.58209
8 1A0J BEN 4.03587
9 2DT9 THR 4.19162
10 6CI9 NAP 4.6332
11 3VPB GLU 4.96454
12 4DXD 9PC 5.07463
13 5XDT ZI7 5.51948
14 5WZU 7W3 5.69106
15 4ZG4 VO4 ADP 5.97015
16 2ET1 GLV 13.4328
Pocket No.: 9; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found with APoc: 2
This union binding pocket(no: 9) in the query (biounit: 3dls.bio8) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 6GBV FMN 8.21918
2 3IS2 FAD 10.3896
Pocket No.: 10; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found with APoc: 3
This union binding pocket(no: 10) in the query (biounit: 3dls.bio8) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZJ1 ARJ 5.37313
2 2ZJ1 NAD 5.37313
3 1OFZ FUC 7.05128
Pocket No.: 11; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3DLS; Ligand: ADP; Similar sites found with APoc: 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 Sequence Similarity
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