-->
Receptor
PDB id Resolution Class Description Source Keywords
5OKT 2.13 Å EC: 2.7.11.1_2.7.11.26 CRYSTAL STRUCTURE OF HUMAN CASEIN KINASE I DELTA IN COMPLEX HOMO SAPIENS CK1D KINASE-INHIBITOR COMPLEX TRANSFERASE KINASE
Ref.: DISCOVERY OF INHIBITOR OF WNT PRODUCTION 2 (IWP-2) RELATED COMPOUNDS AS SELECTIVE ATP-COMPETITIVE INHI CASEIN KINASE 1 (CK1) DELTA / EPSILON. J. MED. CHEM. V. 61 4087 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 C:307;
C:306;
D:304;
C:303;
A:304;
B:304;
A:302;
D:306;
A:305;
C:304;
D:303;
D:305;
B:302;
A:306;
B:303;
C:305;
D:302;
A:303;
C:302;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
9XK D:301;
A:301;
B:301;
C:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
ic50 = 317 nM
466.599 C22 H18 N4 O2 S3 Cc1cc...
GOL C:308;
D:307;
C:309;
B:305;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ACT A:307;
A:308;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5OKT 2.13 Å EC: 2.7.11.1_2.7.11.26 CRYSTAL STRUCTURE OF HUMAN CASEIN KINASE I DELTA IN COMPLEX HOMO SAPIENS CK1D KINASE-INHIBITOR COMPLEX TRANSFERASE KINASE
Ref.: DISCOVERY OF INHIBITOR OF WNT PRODUCTION 2 (IWP-2) RELATED COMPOUNDS AS SELECTIVE ATP-COMPETITIVE INHI CASEIN KINASE 1 (CK1) DELTA / EPSILON. J. MED. CHEM. V. 61 4087 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5OKT ic50 = 317 nM 9XK C22 H18 N4 O2 S3 Cc1ccc2c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5OKT ic50 = 317 nM 9XK C22 H18 N4 O2 S3 Cc1ccc2c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5OKT ic50 = 317 nM 9XK C22 H18 N4 O2 S3 Cc1ccc2c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 9XK; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 9XK 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5OKT; Ligand: 9XK; Similar sites found with APoc: 540
This union binding pocket(no: 1) in the query (biounit: 5okt.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 SRO None
2 6GAR FAD 0.955414
3 1EHI ADP 1.27389
4 1P1C SAH 1.50754
5 5MW8 ATP 1.59236
6 3WVR AMP 1.59236
7 2WTX VDO 1.59236
8 2WTX UDP 1.59236
9 4O4F ATP 1.6129
10 4O4F IHP 1.6129
11 4A91 GLU 1.67785
12 2XNJ NAP 1.8797
13 2QK4 ATP 1.91083
14 2YW2 ATP 1.91083
15 4U98 ACP 1.91083
16 1BW9 PPY 1.91083
17 1C1X HFA 1.91083
18 3K5I ADP 1.91083
19 2WKV COA 1.91083
20 1FNN ADP 1.91083
21 2WL5 COA 1.91083
22 2WKT COA 1.91083
23 5OLK DTP 1.91083
24 5I35 ANP 2.03562
25 4C5N PXL 2.17391
26 4C5N ACP 2.17391
27 1GSA ADP 2.2293
28 5TT6 ATP 2.2293
29 4CC6 L5Y 2.2293
30 2YRX AMP 2.2293
31 5C1P DAL DAL 2.28758
32 5C1P ADP 2.28758
33 5U3B 7TD 2.34114
34 3VPD ANP 2.4911
35 2GQS ADP 2.53165
36 2GQR ADP 2.53165
37 2PYW ADP 2.54777
38 5OES ADP 2.54777
39 3X01 AMP 2.54777
40 3WO0 ADP 2.54777
41 3WO0 ALA 2.54777
42 1E4E ADP 2.54777
43 3PQB VGP 2.54777
44 1ST0 GTG 2.54777
45 3PN1 IVH 2.54777
46 3SJK LYS PRO VAL LEU ARG THR ALA 2.63158
47 4CS9 AMP 2.6455
48 3BL7 DD1 2.65781
49 5Z2L NDP 2.85714
50 4NZN ANP 2.86624
51 4NZN 2OU 2.86624
52 4UWH JXM 2.86624
53 2CFM AMP 2.86624
54 3C8Z 5CA 2.86624
55 2NP9 YE1 2.86624
56 3FSY SCA 2.86624
57 6BKA FMN 2.86624
58 4OMJ 2TX 2.8777
59 1XDN ATP 2.88809
60 5AE9 OKO 3.18471
61 3DLG GWE 3.18471
62 3T1A 5MA 3.18471
63 3KAL ADP 3.18471
64 3V4S ADP 3.18471
65 3V4S ATP 3.18471
66 1RYI FAD 3.18471
67 2Z48 NGA 3.18471
68 2Z49 AMG 3.18471
69 3UU7 2OH 3.18725
70 3VPB ADP 3.19149
71 3VPC ADP 3.19149
72 4YAG NAI 3.46021
73 5O2D 9HH 3.5
74 4GYI ADP 3.50318
75 2PUL ACP 3.50318
76 5FI4 5XV 3.50318
77 5DXT 5H5 3.50318
78 4B0T ADP 3.50318
79 1XHC FAD 3.50318
80 2Q4H AMP 3.50318
81 2Q7D ANP 3.50318
82 4O9C COA 3.50318
83 5ZEC NAP 3.50877
84 1TQP ATP 3.5461
85 1TZD ADP 3.63636
86 5O1I 9GH 3.65297
87 2WBV SIA 3.7037
88 1Z2P ACP 3.7037
89 1Z2P I3S 3.7037
90 6C1S EFV 3.82166
91 2BMB PMM 3.82166
92 2OBD 2OB 3.82166
93 1SR7 MOF 3.861
94 5FIT AP2 4.08163
95 4XIZ LPP 4.11765
96 3AKK ADP 4.14013
97 2J9C ATP 4.20168
98 1I7L ATP 4.20712
99 5OVL NAP 4.33333
100 1P6O HPY 4.34783
101 2QX0 PH2 4.40252
102 5VLQ ANP 4.4586
103 1PFY MSP 4.4586
104 5BNS 4VM 4.4586
105 1NZY BCA 4.46097
106 1JXZ BCA 4.46097
107 3EXS 5RP 4.52489
108 5WUW NAP 4.52962
109 2XG5 EC2 4.58716
110 2XG5 EC5 4.58716
111 1ZTH ADP 4.65116
112 1ZP9 ATP 4.65116
113 2HGS ADP 4.77707
114 3TY5 ATP 4.77707
115 3TY5 ADP 4.77707
116 6EZ6 C5Z 4.77707
117 1R37 NAD 4.77707
118 5K2M ADP 4.77707
119 3WKX FUB 4.77707
120 4GYW UDP 4.77707
121 2O3Z AI7 4.79705
122 1W2D ADP 4.90566
123 1W2D 4IP 4.90566
124 3O7B SAH 4.91803
125 2BVE PH5 5.04202
126 2IF8 ADP 5.09554
127 5VZ0 ADP 5.09554
128 3DNT ATP 5.09554
129 1F5F DHT 5.09554
130 5YK1 ANP 5.09554
131 2V0C LEU LMS 5.09554
132 1LCK GLU GLY GLN PTR GLN PRO GLN PRO ALA 5.14286
133 4CYI ATP 5.25114
134 1G8K MGD 5.26316
135 1KUV CA5 5.31401
136 5GT9 NAP 5.32319
137 6E8I PTR 5.32544
138 1EXF GLY 5.3719
139 3W0O HY0 5.41401
140 3W0O ADP 5.41401
141 2VPQ ANP 5.41401
142 3LJU IP9 5.41401
143 3FSM 2NC 5.41872
144 6MJ7 ARG 5.45455
145 4LCN GNG 5.58376
146 6G34 5ID 5.73248
147 4OUC 5ID 5.73248
148 6FL8 TIY 5.73248
149 6FL8 ADP 5.73248
150 5EQY 5RA 5.73248
151 2IO8 ADP 5.73248
152 3Q60 ATP 5.73248
153 3N1S 5GP 5.88235
154 1S68 AMP 6.0241
155 4OCJ NDG 6.05096
156 3I0O ADP 6.05096
157 1KJ8 ATP 6.05096
158 1KJ8 GAR 6.05096
159 3TII ANP 6.05096
160 3AXB FAD 6.05096
161 1Q19 APC 6.05096
162 1IA9 ANP 6.07143
163 3LQV ADE 6.08696
164 5TWJ SAM 6.17284
165 3ETH ATP 6.19718
166 1IOW ADP 6.20915
167 1IOW PHY 6.20915
168 5OVK NDP 6.25
169 3VOT ADP 6.35294
170 2V58 LZJ 6.36943
171 1T36 ADP 6.36943
172 4LH7 1X8 6.36943
173 4XL4 COA 6.36943
174 4USI ATP 6.49351
175 4XBA 5GP 6.5
176 4XBA GMP 6.5
177 1CJW COT 6.62651
178 6ES0 BW8 6.6879
179 4OCV ANP 6.6879
180 5C4L 4XR 6.6879
181 5BV3 M7G 6.6879
182 3UDZ ADP 6.6879
183 1CKM GTP 6.6879
184 1CKN GTP 6.6879
185 5BZ4 COA 6.6879
186 6DW2 HD4 6.75105
187 5LXT ACP 6.99301
188 3BP1 GUN 7.00637
189 2VQD AP2 7.00637
190 4C3Y FAD 7.00637
191 3LF0 ATP 7.01754
192 3GRU AMP 7.11864
193 4R78 AMP 7.11974
194 5ZCT ANP 7.18954
195 3TM0 ANP 7.22433
196 3TM0 B31 7.22433
197 1M0W ANP 7.32484
198 5DMZ ADP 7.32484
199 4O1P ANP 7.32484
200 3T4L ZEA 7.32484
201 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 7.36842
202 4XYM A12 7.3913
203 4XZ3 ACP 7.3913
204 5GZ9 ANP 7.54098
205 1TMM HHR 7.59494
206 1TMM APC 7.59494
207 2B4Q NAP 7.6087
208 2X06 NAD 7.64331
209 4PZ6 GMP 7.96178
210 3HAV ATP 8.02676
211 1IDA 0PO 8.08081
212 3R5J ACE ALA ASP VAL ALA ASA 8.125
213 4GKV NAD 8.28025
214 4LRJ ANP 8.28402
215 4ZS4 ATP 8.46906
216 2E3N 6CM 8.62745
217 3M2W L8I 8.69565
218 2TPS TPS 8.81057
219 4NFE BEN 8.86076
220 4CRL C1I 8.9172
221 2Y6O 1N1 8.93471
222 1JG3 ADN 8.93617
223 2AQX ATP 8.99654
224 1KDK DHT 9.03955
225 3H9R TAK 9.17431
226 4IJP 1EH 9.23567
227 4MV1 ADP 9.23567
228 5IM3 DTP 9.23567
229 5WA9 9ZD 9.30233
230 2PZI AXX 9.55414
231 4Y0X ADP 9.55414
232 5FJN FAD 9.55414
233 5FJN BE2 9.55414
234 5TT5 NAD 9.87261
235 4DFU QUE 9.87261
236 2QZT PLM 9.90991
237 3QDC RET 10.0418
238 2BKK ADP 10.0592
239 6GWR FEW 10.1911
240 1AUX AGS 10.2894
241 3WXB NDP 10.3943
242 5RHN 8BR 10.4348
243 1PK8 ATP 10.828
244 1BHX ASP PHE GLU GLU ILE 10.8844
245 5KO1 6UY 10.9541
246 5JBX COA 11.1111
247 3NWQ 2NC 11.1111
248 2P3B 3TL 11.1111
249 5VCV 1N1 11.254
250 1HFE CYS 11.465
251 4FE2 ADP 11.7647
252 5QIN J2V 11.7834
253 6GIN IR2 11.7834
254 1JPA ANP 11.859
255 1CBK ROI 11.875
256 3LXK MI1 12.4204
257 1UJP CIT 12.5461
258 2QLU ADE 12.7389
259 4I94 ANP 13
260 1ONI BEZ 13.0435
261 5CKW ANP 13.6943
262 4AU8 Z3R 13.8514
263 1UNH IXM 14.0411
264 3O0G 3O0 14.0411
265 4AZW ATP 14.6497
266 5COU ATP 14.7059
267 4G31 0WH 14.7157
268 5DZT AMP 14.9682
269 4YZC STU 15.6051
270 4WN5 MVC 15.6522
271 4A4X JUP 16.129
272 5ETR APC 16.1491
273 5ETR 5RW 16.1491
274 3HMO STU 16.3743
275 1ZY5 ANP 16.5016
276 2X2M X2M 17.5159
277 4Y93 746 18.1529
278 5EH0 5NW 18.2171
279 3RNM FAD 18.4713
280 2I6A 5I5 18.5507
281 3RE4 TO1 18.6047
282 4L3L 5FI 18.75
283 5OMY 9YE 18.9258
284 3VHE 42Q 19.1083
285 1PHK ATP 19.4631
286 3O5N BR0 19.6429
287 5WNL STU 19.7452
288 3C0G 3AM 20.0637
289 4JR7 GNP 20.3209
290 2OO8 RAJ 20.3822
291 4WW7 AMP 20.6897
292 1U5R ATP 20.7006
293 5HVJ ANP 20.7006
294 3E8N VRA 21.0191
295 3E8N ATP 21.0191
296 3GNI ATP 21.0191
297 4X3R 686 21.0191
298 5N87 N66 21.0863
299 3V8S 0HD 21.3376
300 4IX4 ADP 21.3376
301 3C1X CKK 21.3376
302 3FHR P4O 21.6561
303 2RIO ADP 21.6561
304 4USF 6UI 21.7105
305 3PE2 E1B 21.9585
306 6BFN DL1 21.9745
307 4M69 ANP 22.2615
308 5Y86 HRM 22.293
309 5JGA 6KC 22.293
310 3LXN MI1 22.293
311 5VC5 96M 22.4914
312 2XVD AS6 22.5166
313 4EUU BX7 22.5705
314 5BVE 4VG 22.6115
315 1CM8 ANP 22.6115
316 4H3P ANP 22.6115
317 4H3Q ANP 22.6115
318 5MJA 7O3 22.623
319 2XOC ADP 22.9885
320 5AX9 4KT 23.0519
321 4WHZ 3NL 23.2484
322 3TTI KBI 23.2484
323 2F2U M77 23.2484
324 3PTG 932 23.2484
325 4QTB 38Z 23.2484
326 2JLD AG1 23.5669
327 4U44 3D9 23.5669
328 4DC2 ADE 23.5669
329 3ZRM ZRM 23.5669
330 4PNI KQQ 23.5669
331 3F7Z 34O 23.5669
332 4L9I 8PR 23.5669
333 3DLS ADP 23.5669
334 4Y8D 49J 23.8854
335 4CLI 5P8 23.8854
336 5LI9 ACP 23.8854
337 3TXO 07U 23.8854
338 2WEL K88 23.8854
339 5Y80 IRE 23.9617
340 2VZ6 FEF 23.9617
341 4AUA 4AU 24.1042
342 5NKB 8ZT 24.183
343 2V7O DRN 24.2038
344 5MY8 RXZ 24.2038
345 1OUK 084 24.5223
346 4LOO SB4 24.5223
347 5DEY 59T 24.5791
348 2BPM 529 24.5955
349 5THQ NDP 24.6324
350 5YF9 NIO 24.7788
351 2J7T 274 24.8344
352 4OTH DRN 24.8408
353 4FG8 ATP 24.8408
354 2VN9 GVD 24.9169
355 5LI1 ANP 25
356 4X7Q 3YR 25
357 4MN3 ACE PHE ALA TYR M3L SER NH2 25
358 4CFU 2WC 25.0825
359 4F9C 0SX 25.1592
360 5WO4 B7V 25.1656
361 6GUE FB8 25.1656
362 5TO8 7FM 25.1773
363 4BCQ TJF 25.2492
364 4BCM T7Z 25.2492
365 6CQF F97 25.2525
366 4BCN T9N 25.3333
367 3UIM ANP 25.4777
368 3GC8 B45 25.4777
369 4GJ3 0XP 25.4967
370 2XMY CDK 25.5034
371 5LMK 6ZK 25.5892
372 2WU6 DKI 25.7218
373 5UIU 8CG 26.1146
374 6C7Y ADP 26.5734
375 1Q8Y ADE 26.7516
376 1Q8Y ADP 26.7516
377 4NST ADP 26.7516
378 5USZ SKE 26.9896
379 5T8O 76Z 27.0701
380 5JZJ AN2 27.2727
381 5EFQ ADP 27.3885
382 4E1Z 0MX 27.4914
383 5FBN 5WF 27.6753
384 3KN5 ANP 27.707
385 6F3G CJN 27.7966
386 5TA6 79D 27.933
387 5UPK ANP 28.0255
388 6G33 5ID 28.3439
389 4UAL 3FV 28.3439
390 3IGO ANP 28.3439
391 5DH3 5BS 28.3439
392 4IDT T28 28.3439
393 5X8I SQZ 28.3439
394 3GC0 AMP 28.3439
395 6BXI ANP 28.3439
396 2B9J ADP 28.6624
397 2B9I ADP 28.6624
398 5LPZ ADP 28.6624
399 4UX9 ANP 28.6624
400 2B9H ADP 28.6624
401 6GU6 1QK 28.8079
402 5HQ0 LZ9 28.8079
403 3RWP ABQ 28.9389
404 5LVP ATP 28.9389
405 2B9F ADP 28.9809
406 3PLS ANP 29.5302
407 3BZ3 YAM 29.7101
408 3FC2 IBI 29.8507
409 5XVG 8FX 30.0341
410 6CMJ F6J 30.2548
411 5ZTN CUR 30.2548
412 2R5T ANP 30.2548
413 4P5Z Q7M 30.2548
414 4WNK 453 30.2548
415 4Y85 499 30.2548
416 1VJY 460 30.363
417 5LPB ADP 30.4054
418 1XJD STU 30.5732
419 3PVW QRX 30.5732
420 4OAV ACP 30.5732
421 6FYL 3NG 30.5732
422 5UKL SIX 30.5732
423 2A19 ANP 30.6338
424 3NW7 LGV 30.9446
425 5IH9 6BF 31.2102
426 2PVN P63 31.2102
427 5EKO N17 31.2102
428 4YMJ 4EJ 31.25
429 2WEI VGG 31.3589
430 3ORK AGS 31.5113
431 5M06 ADP 31.5217
432 4BHN BH9 31.5287
433 4C2V YJA 31.5789
434 3DAK ANP 31.7241
435 1K3A ACP 31.7726
436 5JKG 6LF 31.8471
437 3MVH WFE 31.8471
438 6C0T EE4 31.8471
439 2ZV2 609 31.8792
440 3SLS ANP 31.9079
441 2XK9 XK9 32.1656
442 6A1G 9OL 32.1656
443 6E2O S0L 32.2034
444 2QCS ANP 32.4841
445 2JDR L20 32.4841
446 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 32.4841
447 4BFM ANP 32.4841
448 1IR3 ANP 32.6797
449 3BU5 ATP 32.6797
450 2GU8 796 32.8025
451 5HCY 60D 32.8025
452 1RE8 BD2 32.8025
453 4WB7 ATP 32.8025
454 3PP0 03Q 32.8025
455 3TKI S25 32.8025
456 2HY0 306 32.8025
457 3IDB ANP 32.8025
458 4WB6 ATP 32.8025
459 3FHI ANP 32.8025
460 4KS7 X4Z 32.8767
461 3EKK GS2 32.899
462 3RI1 3RH 32.9073
463 5EOB 5QQ 33.121
464 3E7O 35F 33.121
465 4NM5 ADP 33.3333
466 4NW6 2NS 33.4395
467 3GQI ACP 33.4395
468 4QMN DB8 33.758
469 2YAB AMP 33.758
470 4AG8 AXI 34.0764
471 6FYV 3NG 34.0764
472 4OH4 ANP 34.0764
473 5UR1 YY9 34.0836
474 4WNP 3RJ 34.1463
475 5HES 032 34.202
476 3GGF GVD 34.2193
477 3SXS PP2 34.3284
478 1V0O INR 34.375
479 3HZT J60 34.3949
480 5CEO 50D 35
481 4ONA UW1 35.0318
482 4WOV 3SM 35.0318
483 4AT3 LTI 35.1171
484 4C2W ANP 35.1254
485 5EYK 5U5 35.1449
486 2WQN ADP 35.1613
487 2F57 23D 35.3503
488 4K33 ACP 35.3503
489 5U6C 7YS 35.5556
490 5AWM ANP 35.9873
491 3KRL KRL 35.9873
492 4ASE AV9 36.2606
493 5A6N U7E 36.3958
494 5G1X ADP 36.4912
495 5L8L ADP 36.4912
496 4U0I 0LI 36.5079
497 5LXM ADP 36.7491
498 3VRY B43 36.9427
499 3AQV TAK 36.9565
500 2H8H H8H 37.2611
501 1Y57 MPZ 37.2611
502 4UXL 5P8 37.5776
503 4E93 GUI 37.5796
504 4IZY 1J2 37.5796
505 5JFS 6K0 37.6623
506 1OPK P16 37.8981
507 6GQM F8H 37.8981
508 5DBX ANP 37.8981
509 4Q5H ANP 37.931
510 4I6H 1C8 37.987
511 2PVF ACP 38.2166
512 2YAK OSV 38.2456
513 5EW9 5VC 38.3764
514 3ALN ANP 38.535
515 3E5A VX6 38.806
516 4ITH RCM 39.1156
517 5ODT ADP 39.1304
518 4FL3 ANP 39.4904
519 1BYG STU 39.5683
520 1U59 STU 40.0697
521 3G5D 1N1 40.9091
522 4RFM 3P6 40.9774
523 2Z7R STU 41.0828
524 4YZN 4K5 41.115
525 2OFV 242 41.5162
526 4N70 2HX 41.7197
527 3CY2 MB9 41.7197
528 4XV1 904 42.1233
529 4EWH T77 42.5455
530 2HK5 1BM 42.5926
531 4CSV STI 43.6364
532 4CQE CQE 44.2446
533 1O9U ADZ 44.4444
534 4TWP AXI 44.6494
535 3SRV S19 45.4874
536 6AC9 ANP 45.5414
537 4F4P 0SB 46.1538
538 5H2U 1N1 47.191
539 6CZ3 FLJ 48.4848
540 4BTK DTQ 49.3631
Pocket No.: 2; Query (leader) PDB : 5OKT; Ligand: 9XK; Similar sites found with APoc: 57
This union binding pocket(no: 2) in the query (biounit: 5okt.bio4) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1L3I SAH None
2 1EWF PC1 1.59236
3 5I39 FAD 1.71569
4 2FN1 PYR 1.91083
5 4I54 1C1 1.983
6 1KQN NAD 2.15054
7 4RYD 2UE ARG TBG ARG 00S 2.2293
8 4XJ7 ADE 2.24719
9 3VPH OXM 2.25806
10 3VPH NAD 2.25806
11 4NTO 1PW 2.41546
12 2ZFZ ARG 2.53165
13 4R3U 5AD 2.54777
14 2GVC FAD 2.54777
15 2D24 XYS XYS 2.54777
16 5CB3 APR 2.73224
17 2BJF DXC 2.86624
18 1P7T ACO 3.18471
19 5T63 ALA ALA ALA ALA 3.18471
20 2ZXG S23 3.18471
21 2ZWS PLM 3.18471
22 5WHU SIA GAL 3.3557
23 4O9S 2RY 3.82166
24 4R0M FA5 3.82166
25 1H0H 2MD 4.14013
26 4GK9 MAN BMA MAN MAN MAN 4.30108
27 4O4K 2PK 4.4586
28 5L2Z 70C 4.72441
29 5CUO COA 4.9505
30 1O44 852 5.55556
31 3OYZ ACO 5.73248
32 1IHU AF3 5.73248
33 1IHU ADP 5.73248
34 2HKA C3S 6.15385
35 1VQ2 DDN 6.21762
36 1XUJ BOZ 6.27803
37 5XNC MTA 6.6879
38 5XNC N4P 6.6879
39 2PZM UDP 7.32484
40 2PZM NAD 7.32484
41 3SJU NDP 7.52688
42 3PDT ADP 7.63636
43 2FAV APR 7.77778
44 2R7K AMZ 7.96178
45 2R7K ACP 7.96178
46 5E5U MLI 8.0402
47 4ZVV NAD 8.9172
48 4ZVV GN0 8.9172
49 4NJH SAM 9.56522
50 4NJH 2K8 9.56522
51 1NP7 FAD 9.87261
52 5KVA SAM 10.1911
53 4IZC 1GZ 13.4545
54 3GWL FAD 14.1509
55 2V92 ATP 23.5669
56 5DRB 5FJ 23.7113
57 5C03 AGS 27.707
Pocket No.: 3; Query (leader) PDB : 5OKT; Ligand: 9XK; Similar sites found with APoc: 17
This union binding pocket(no: 3) in the query (biounit: 5okt.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1DUB CAA 1.14943
2 1U7Z PMT 1.76991
3 3ORQ ADP 2.2293
4 6GR0 F8W 2.29885
5 2ZRU FMN 2.54777
6 4ORM 2V6 2.86624
7 4ORM FMN 2.86624
8 4ORM ORO 2.86624
9 5FAL SKT 4.77707
10 5FAL COA 4.77707
11 5G5G MCN 4.80349
12 1Y7P RIP 4.93274
13 1M26 GAL A2G 6.76692
14 1ZX5 LFR 7.33333
15 2P3C 3TL 11.1111
16 3MTX PGT 17.8808
17 6FHQ DE5 27.5862
Pocket No.: 4; Query (leader) PDB : 5OKT; Ligand: 9XK; Similar sites found with APoc: 10
This union binding pocket(no: 4) in the query (biounit: 5okt.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1VLJ NAP 2.86624
2 2HBL AMP 2.92683
3 1OJ7 NZQ 3.18471
4 1VKF CIT 3.7234
5 5XDT MB3 4.14013
6 1FAO 4IP 4.7619
7 1DL5 SAH 5.09554
8 5HP8 PYR 6.45161
9 4M26 AKG 6.6879
10 4EIP K2C 10.1911
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