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Receptor
PDB id Resolution Class Description Source Keywords
4KBK 2.1 Å EC: 2.7.11.1 CK1D IN COMPLEX WITH (3S)-3-{4-[3-(4-FLUOROPHENYL)-1-METHYL- PYRAZOL-4-YL]PYRIDIN-2-YL}MORPHOLINE INHIBITOR HOMO SAPIENS SER/THR KINASE INHIBITOR TRANSFERASE-TRANSFERASE INHIBITOR
Ref.: LIGAND-PROTEIN INTERACTIONS OF SELECTIVE CASEIN KIN DELTA INHIBITORS. J.MED.CHEM. V. 56 6819 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 D:403;
B:402;
B:404;
D:402;
D:404;
A:403;
A:405;
C:403;
B:403;
C:402;
A:402;
A:404;
C:404;
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;
submit data
96.063 O4 S [O-]S...
1QG D:401;
A:401;
B:401;
C:401;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
338.379 C19 H19 F N4 O Cn1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5W4W 1.99 Å EC: 2.7.11.1 IDENTIFICATION AND PROFILING OF A SELECTIVE AND BRAIN PENETR RADIOLIGAND FOR IN VIVO TARGET OCCUPANCY MEASUREMENT OF CAS1 (CK1) INHIBITORS HOMO SAPIENS KINASE INHIBITOR TRANSFERASE-INHIBITOR COMPLEX
Ref.: IDENTIFICATION AND PROFILING OF A SELECTIVE AND BRA PENETRANT RADIOLIGAND FOR IN VIVO TARGET OCCUPANCY MEASUREMENT OF CASEIN KINASE 1 (CK1) INHIBITORS. ACS CHEM NEUROSCI V. 8 1995 2017
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 117 families.
1 5IH5 ic50 = 0.5 uM AUE C12 H10 Cl N7 c1cc(cc(c1....
2 5MQV ic50 = 8 nM D5Q C29 H26 F N5 O3 S Cn1cc(cc1C....
3 3UZP - 0CK C19 H20 F N5 c1cc(ccc1c....
4 5W4W ic50 = 8 nM 9WG C18 H15 F N4 O Cn1cc(c(n1....
5 4TW9 ic50 = 0.02 uM 386 C20 H10 F5 N5 O5 S c1ccc(c(c1....
6 5X17 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 6GZM - LCI C18 H26 F N6 Cn1c(c(cn1....
8 5IH6 ic50 = 2.5 uM AUG C12 H10 Br N7 c1cc(cc(c1....
9 3UYT - 0CK C19 H20 F N5 c1cc(ccc1c....
10 4KB8 ic50 = 3040 nM 1QN C17 H17 F N4 CNCc1cc(cc....
11 4KBK - 1QG C19 H19 F N4 O Cn1cc(c(n1....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 91 families.
1 4KBC - 1QJ C15 H12 F N3 O c1cc(ccc1c....
2 4TWC - 37J C20 H11 F6 N5 O3 S c1ccc(c(c1....
3 4HNF ic50 = 711 nM 16W C17 H18 Cl N5 O2 c1cc(cc(c1....
4 5MQV ic50 = 8 nM D5Q C29 H26 F N5 O3 S Cn1cc(cc1C....
5 3UZP - 0CK C19 H20 F N5 c1cc(ccc1c....
6 5W4W ic50 = 8 nM 9WG C18 H15 F N4 O Cn1cc(c(n1....
7 4TW9 ic50 = 0.02 uM 386 C20 H10 F5 N5 O5 S c1ccc(c(c1....
8 5X17 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 6GZM - LCI C18 H26 F N6 Cn1c(c(cn1....
10 5IH6 ic50 = 2.5 uM AUG C12 H10 Br N7 c1cc(cc(c1....
11 3UYT - 0CK C19 H20 F N5 c1cc(ccc1c....
12 4KB8 ic50 = 3040 nM 1QN C17 H17 F N4 CNCc1cc(cc....
13 4KBK - 1QG C19 H19 F N4 O Cn1cc(c(n1....
14 6GZD Kd = 9.8 nM LCI C18 H26 F N6 Cn1c(c(cn1....
15 2CSN Ki = 39 uM CKI C11 H12 Cl N3 O2 S c1cc(c2ccn....
16 1CSN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4XH0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4XHG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 4KBA ic50 = 654 nM 1QM C18 H17 F N4 O Cn1cc(c(n1....
4 4KBC - 1QJ C15 H12 F N3 O c1cc(ccc1c....
5 4TWC - 37J C20 H11 F6 N5 O3 S c1ccc(c(c1....
6 4HNF ic50 = 711 nM 16W C17 H18 Cl N5 O2 c1cc(cc(c1....
7 4BTK Kd = 0.24 uM DTQ C16 H15 N3 O3 COc1cc2c(c....
8 5IH5 ic50 = 0.5 uM AUE C12 H10 Cl N7 c1cc(cc(c1....
9 5MQV ic50 = 8 nM D5Q C29 H26 F N5 O3 S Cn1cc(cc1C....
10 3UZP - 0CK C19 H20 F N5 c1cc(ccc1c....
11 5W4W ic50 = 8 nM 9WG C18 H15 F N4 O Cn1cc(c(n1....
12 4TW9 ic50 = 0.02 uM 386 C20 H10 F5 N5 O5 S c1ccc(c(c1....
13 5X17 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 6GZM - LCI C18 H26 F N6 Cn1c(c(cn1....
15 5IH6 ic50 = 2.5 uM AUG C12 H10 Br N7 c1cc(cc(c1....
16 3UYT - 0CK C19 H20 F N5 c1cc(ccc1c....
17 4KB8 ic50 = 3040 nM 1QN C17 H17 F N4 CNCc1cc(cc....
18 4KBK - 1QG C19 H19 F N4 O Cn1cc(c(n1....
19 6GZD Kd = 9.8 nM LCI C18 H26 F N6 Cn1c(c(cn1....
20 4NFN ic50 = 120 nM 2KC C19 H23 Br N6 O CC1(CCN(CC....
21 2CSN Ki = 39 uM CKI C11 H12 Cl N3 O2 S c1cc(c2ccn....
22 1CSN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
23 4G17 ic50 = 0.029 uM 0VN C18 H18 N4 CC(C)(C)c1....
24 4G16 ic50 = 0.14 uM 0VM C20 H12 F3 N5 O c1cc(c(nc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1QG; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 1QG 1 1
2 1QN 0.470588 0.741379
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5W4W; Ligand: 9WG; Similar sites found with APoc: 639
This union binding pocket(no: 1) in the query (biounit: 5w4w.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 3OYW TDG None
2 4XMF HSM None
3 3A6T 8OG None
4 6GBV FMN 0.906344
5 1EHI ADP 1.20846
6 2YBQ SAH 1.36986
7 3ZXE PGZ 1.50376
8 1GPM AMP 1.51057
9 3WVR AMP 1.566
10 4O4F ATP 1.6129
11 4O4F IHP 1.6129
12 5MW8 ATP 1.69851
13 2QK4 ATP 1.81269
14 3B6R ADP 1.81269
15 3K5I ADP 1.81269
16 4YBN FAD 1.81269
17 1BW9 PPY 1.81269
18 3M3E GAL A2G NPO 1.86335
19 5J75 6GQ 1.89394
20 3VKX T3 1.91571
21 2UV4 AMP 1.97368
22 1SBR VIB 2
23 4COQ SAN 2.02429
24 3WV6 GAL GLC 2.02703
25 3WV6 GAL BGC 2.02703
26 1V9A SAH 2.09205
27 5YJS SAL 2.1148
28 4MOB ADP 2.1148
29 2YRX AMP 2.1148
30 4ZH7 FUC GAL NAG GAL FUC 2.1148
31 1MJT ITU 2.1148
32 1I82 BGC BGC 2.1164
33 3ZO7 K6H 2.12766
34 2RIF AMP 2.12766
35 4C5N ACP 2.17391
36 4CC6 L5Y 2.20126
37 4XJ7 ADE 2.24719
38 3WG3 A2G GAL NAG FUC 2.24719
39 4OCT AKG 2.25225
40 5C1P ADP 2.28758
41 5C1P DAL DAL 2.28758
42 6CGD AKN 2.29508
43 6CGD GNP 2.29508
44 4NTO 1PW 2.41546
45 5OES ADP 2.41692
46 5KJW 53C 2.41692
47 3X01 AMP 2.41692
48 4BG4 ADP 2.41692
49 3OPT AKG 2.41692
50 1E4E ADP 2.41692
51 2YW2 ATP 2.41692
52 5TDF ADP 2.41692
53 1U6R ADP 2.41692
54 4R3U 5AD 2.41692
55 1ELI PYC 2.41692
56 3QV9 QV7 2.41692
57 5C9P FUC 2.41692
58 4KCT PYR 2.41692
59 5VKM GAL SIA 2.46914
60 1ZM1 BGC BGC BGC 2.48963
61 3VPD ANP 2.4911
62 5I0U DCY 2.5
63 3PN1 IVH 2.51572
64 2GQR ADP 2.53165
65 2GQS ADP 2.53165
66 2GQS C2R 2.53165
67 1F52 ADP 2.5641
68 3SJK LYS PRO VAL LEU ARG THR ALA 2.63158
69 2PYY GLU 2.63158
70 4CS9 AMP 2.6455
71 1W8S FBP 2.6616
72 3ACL 3F1 2.7027
73 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 2.71493
74 3UDZ ADP 2.71903
75 1F9V ADP 2.71903
76 4UWH JXM 2.71903
77 3ORQ ADP 2.71903
78 5EQY 5RA 2.71903
79 4PU5 ANP 2.71903
80 3QSB 743 2.71903
81 4OCJ NDG 2.71903
82 4NOS ITU 2.71903
83 5MRH Q9Z 2.71903
84 1RYD GLC 2.71903
85 5W0N UPU 2.71903
86 1LSH PLD 2.71903
87 4OCV ANP 2.71903
88 4NZN 2OU 2.72727
89 4NZN ANP 2.72727
90 1S4M LUM 2.73038
91 4C01 QY9 2.83688
92 1EIX BMQ 2.85714
93 4U98 ACP 2.86344
94 5ZMY TAR 2.86624
95 1SDW IYT 2.86624
96 4R78 AMP 2.91262
97 1DBT U5P 2.92887
98 5FQK 6NT 2.97398
99 2ET1 GLV 2.98507
100 1VCE SAH 3.01887
101 1WNG SAH 3.01887
102 3V4S ATP 3.02115
103 3E7S AT2 3.02115
104 2CYC TYR 3.02115
105 2ZWS PLM 3.02115
106 4ZTD ALA GLY ALA GLY ALA 3.02115
107 5T8U LPA 3.02115
108 2GVJ DGB 3.02115
109 1GQG DCD 3.02115
110 3MI3 LYS 3.02115
111 4B0T ADP 3.02115
112 3T1A 5MA 3.02115
113 4ZGP ADP 3.07167
114 4OJ8 AKG 3.07167
115 3CH8 PRO GLN PRO VAL ASP SER TRP VAL 3.07692
116 1Z0N BCD 3.125
117 5GLT BGC GAL NAG GAL 3.16901
118 3OJI PYV 3.1746
119 3VPB ADP 3.19149
120 3VPC ADP 3.19149
121 3UVD MB3 3.22581
122 4RDL FUC GAL NDG FUC 3.24675
123 3KMW ATP 3.32103
124 2F9W PAU 3.32103
125 5OLK DTP 3.32326
126 2F2H XTG 3.32326
127 2PUL ACP 3.32326
128 3GDN MXN 3.32326
129 4PAB THG 3.32326
130 1G51 AMP 3.32326
131 4XJ6 GH3 3.32326
132 4CU1 71S 3.32326
133 2Q7D ANP 3.32326
134 1ULE GLA GAL NAG 3.33333
135 4HBM 0Y7 3.33333
136 2OS2 OGA 3.41207
137 2YBP 2HG 3.41207
138 6H8P OGA 3.41207
139 1F5F DHT 3.41463
140 3UW5 MAA CHG PRO 0DQ 3.44828
141 3KYF 5GP 5GP 3.4632
142 2E0N SAH 3.4749
143 2G30 ALA ALA PHE 3.48837
144 5C8W PCG 3.4965
145 1TQP ATP 3.5461
146 3E3U NVC 3.5533
147 2CBT TH2 3.57143
148 4GK9 MAN BMA MAN MAN MAN 3.58423
149 2RDE C2E 3.58566
150 3FXU TSU 3.60656
151 6C1S EFV 3.62538
152 2BMB PMM 3.62538
153 3OBT SLB 3.62538
154 5EJL C2E 3.62903
155 1TZD ADP 3.63636
156 5O1I 9GH 3.65297
157 1N9L FMN 3.66972
158 2P5B OGA 3.69318
159 2Q8E OGA 3.69318
160 2WBV SIA 3.7037
161 2ZMF CMP 3.7037
162 4O9S 2RY 3.72093
163 1VKF CIT 3.7234
164 3UYW TAU 3.73832
165 1WW5 SGA BGC 3.75
166 3VV1 GAL FUC 3.75
167 2QHS OCA 3.79747
168 1LNM DTX 3.80435
169 4RKX 3S9 3.83142
170 2WQ4 SFU 3.84615
171 3OQJ 3CX 3.89105
172 4RF7 ARG 3.92749
173 5VZ0 ADP 3.92749
174 5VLQ ANP 3.92749
175 5EO8 TFU 3.92749
176 4CJN QNZ 3.92749
177 3QXV MTX 3.96825
178 3QH2 3NM 4.0724
179 6FOF LAT 4.08163
180 4GCZ FMN 4.15584
181 1I7L ATP 4.20712
182 1INN MET 4.21687
183 6DZN AE3 4.22535
184 4RD0 GDP 4.22961
185 3GNP SOG 4.22961
186 2CBO TH2 4.34783
187 1P6O HPY 4.34783
188 3NV3 GAL NAG MAN 4.34783
189 5SVV FMN 4.37956
190 1LYX PGA 4.43548
191 2Z3U CRR 4.53172
192 3TY5 ADP 4.53172
193 2HGS ADP 4.53172
194 4WCX MET 4.53172
195 5K2M ADP 4.53172
196 4QAC KK3 4.53172
197 4FFG 0U8 4.53172
198 2GKS ADP 4.53172
199 5V1B 8UY 4.58333
200 5TV6 PML 4.58333
201 2XG5 EC5 4.58716
202 2XG5 EC2 4.58716
203 3S6X SIA GAL BGC 4.61538
204 1ZTH ADP 4.65116
205 1ZP9 ATP 4.65116
206 3SHR CMP 4.68227
207 1J3R 6PG 4.73684
208 1FAO 4IP 4.7619
209 2QHV OC9 4.7619
210 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 4.78261
211 2GC0 PAN 4.78723
212 5E65 5N6 GAL 4.81928
213 5YK1 ANP 4.83384
214 5L2R MLA 4.83384
215 5Z54 0HZ 4.84582
216 1W2D ADP 4.90566
217 1W2D 4IP 4.90566
218 1Y7P RIP 4.93274
219 2AGC DAO 4.93827
220 3AI3 SOL 4.94297
221 1HXD BTN 4.98442
222 3TTZ 07N 5.05051
223 5HCA BGC 5.10949
224 1C1L GAL BGC 5.10949
225 1I1E DM2 5.13595
226 2VPQ ANP 5.13595
227 4WOE 3S5 5.13595
228 4WOE ADP 5.13595
229 2IO8 ADP 5.13595
230 3W0O ADP 5.13595
231 3W0O HY0 5.13595
232 1OFL NGK GCD 5.13595
233 4S1D 41M 5.14019
234 1LCK GLU GLY GLN PTR GLN PRO GLN PRO ALA 5.14286
235 3LQV ADE 5.21739
236 5KBE IPH 5.24017
237 3UDG TMP 5.31561
238 4IAW LIZ 5.31915
239 6E8I PTR 5.32544
240 1UYY BGC BGC 5.34351
241 6F5U CQN 5.35714
242 4ZU4 4TG 5.40541
243 3GNI ATP 5.43807
244 5I35 ANP 5.43807
245 6FL8 ADP 5.43807
246 6FL8 TIY 5.43807
247 2R09 4IP 5.43807
248 2R0D 4IP 5.43807
249 1CKM GTP 5.45455
250 3T50 FMN 5.46875
251 4EZW ASN ARG LEU LEU LEU THR GLY 5.47945
252 5I8T LAC 5.58659
253 2CDO GAL AAL GAL AAL GAL AAL 5.625
254 1B4B ARG 5.6338
255 6D61 4AA 5.64103
256 5FS0 5JC 5.6872
257 3GXO SAH 5.69106
258 1HFE CYS 5.69106
259 5H9P TD2 5.6962
260 5F6U 5VK 5.73248
261 1VRP ADP 5.74018
262 1PK8 ATP 5.74018
263 4YVN EBS 5.74018
264 3I0O ADP 5.74018
265 5W75 SUC 5.74018
266 3HQP OXL 5.74018
267 5LRT ADP 5.74018
268 1VRP IOM 5.74018
269 1KJ8 ATP 5.74018
270 4AF5 CIT 5.78947
271 4EKQ NPO 5.88235
272 1A78 TDG 5.97015
273 5G48 1FL 6.0423
274 2V58 LZJ 6.0423
275 2Z5Y HRM 6.0423
276 1T36 ADP 6.0423
277 2Z49 AMG 6.0423
278 3CBC DBS 6.06061
279 1IA9 ANP 6.07143
280 4EHQ GBL 6.08108
281 1AUX AGS 6.10932
282 2HKA C3S 6.15385
283 5TWJ SAM 6.17284
284 4LH7 1X8 6.19195
285 3ETH ATP 6.19718
286 4WVW SLT 6.25
287 1GSA ADP 6.32911
288 6CC0 EWM 6.32911
289 4TVD BGC 6.34441
290 3CF6 SP1 6.34441
291 2PYW ADP 6.34441
292 4Y24 TD2 6.49351
293 1QVJ RP5 6.50685
294 5LUN OGA 6.53409
295 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 6.61479
296 6ES0 BW8 6.62461
297 2IF8 ADP 6.64653
298 3JU6 ANP 6.64653
299 2PNC CLU 6.64653
300 2VQD AP2 6.64653
301 3BP1 GUN 6.64653
302 1YKD CMP 6.64653
303 1NE6 SP1 6.71378
304 2VDF OCT 6.71937
305 1M26 GAL A2G 6.76692
306 2V0U FMN 6.84932
307 5Y4R C2E 6.89655
308 1GT4 UNA 6.91824
309 4O1P ANP 6.94864
310 1M0W ANP 6.94864
311 3T4L ZEA 6.94864
312 4CYI ATP 6.94864
313 4C2C ALA ALA ALA 6.94864
314 3DNT ATP 6.94864
315 1CT9 AMP 6.94864
316 4FE2 AIR 7.05882
317 5OQW A4E 7.08661
318 3QPB URA 7.0922
319 5L83 ASP TRP GLU ILE VAL 7.14286
320 5ZCT ANP 7.18954
321 1Y2F WAI 7.19424
322 2BKK ADP 7.19697
323 3TM0 B31 7.22433
324 5VNF VAL THR SER VAL VAL 7.25076
325 2QGI UDP 7.25076
326 3WUC GLC GAL 7.29927
327 4HIA FMN 7.38636
328 4XZ3 ACP 7.3913
329 4XYM A12 7.3913
330 1LNX URI 7.40741
331 5F7Y GLC GAL NAG GAL FUC A2G 7.5
332 5F7N NAG GAL FUC FUC A2G 7.5
333 5XLY C2E 7.5188
334 5GZ9 ANP 7.54098
335 5FU3 BGC BGC BGC 7.54717
336 1Q8A HCS 7.55287
337 4ARU TLA 7.55287
338 3BOF HCS 7.55287
339 1GXS BEZ 7.59494
340 3ZJX BOG 7.61246
341 5M6N 7H9 7.62712
342 3PDT ADP 7.63636
343 1FMB HYB 7.69231
344 4PZ6 GMP 7.85498
345 3TII ANP 7.85498
346 3JQ3 ADP 7.85498
347 5DXT 5H5 7.85498
348 5FI4 5XV 7.85498
349 5LXT ACP 7.85498
350 5BV6 35G 7.89474
351 5NLD LBT 7.91367
352 5NC1 NAG 8.01688
353 3HAV ATP 8.02676
354 3SAO DBH 8.125
355 3SAO NKN 8.125
356 3VOT ADP 8.1571
357 3ZGJ RMN 8.1571
358 2D6M LBT 8.1761
359 3T64 DU3 8.28729
360 4OFG PCG 8.33333
361 4CRL C1I 8.45921
362 5DZT AMP 8.45921
363 4ZS4 ATP 8.46906
364 4YLZ LAT NAG GAL 8.49673
365 1NW4 IMH 8.69565
366 5ISY NAD 8.76133
367 5IM3 DTP 8.76133
368 2YKL NLD 8.7963
369 4NFE BEN 8.86076
370 5D9G GLU ASN LEU TYR PHE GLN 8.94309
371 1UPR 4IP 8.94309
372 2AQX ATP 8.99654
373 5KWY C3S 9.02256
374 5C4L 4XR 9.06344
375 3G2Y GF4 9.12547
376 3H9R TAK 9.17431
377 3KYG 5GP 5GP 9.2511
378 4YGF AZM 9.40171
379 5OCG 9R5 9.52381
380 4DFU QUE 9.62733
381 1IS3 LAT 9.62963
382 2Y7P SAL 9.63303
383 3LGS ADE 9.73783
384 4RT1 C2E 9.82143
385 5DYO FLU 9.90566
386 5GQI ATP 10.1215
387 6GWR FEW 10.1587
388 2Y6O 1N1 10.2719
389 4GYI ADP 10.2719
390 4YZ5 SLT 10.2719
391 4RYV ZEA 10.3226
392 6FA4 D1W 10.4046
393 1SLT NDG GAL 10.4478
394 3TDV GDP 10.4575
395 5KR7 6X9 10.574
396 1PJS SAH 10.574
397 3NZ1 3NY 10.728
398 1FQK ALF 10.7692
399 5AE9 OKO 10.8761
400 6EZ6 C5Z 10.8761
401 1YFS ALA 10.8761
402 5KO1 6UY 10.9541
403 5JBX MLI 11.1111
404 5JBX COA 11.1111
405 6GIN IR2 11.1782
406 5T96 79J 11.1782
407 4AVB CMP 11.4804
408 6CI9 F3V 11.583
409 5QIN J2V 11.7089
410 1JPA ANP 11.859
411 1CBK ROI 11.875
412 1BC5 ACE ASN TRP GLU THR PHE 11.8959
413 3LXK MI1 11.9266
414 5XJ7 87O 11.9403
415 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 12.0536
416 1QKQ MAN 12.6761
417 2QLU ADE 12.7389
418 1VBO MAN MAN MAN 12.7517
419 5CIC 51R 12.963
420 5CKW ANP 12.9909
421 1OBD ATP 13.0719
422 3TW1 AHN 13.0802
423 4N14 WR7 13.2931
424 2R0H CTO 13.4146
425 4R38 RBF 13.5714
426 4OAV ACP 13.5952
427 4AU8 Z3R 13.8514
428 4AZW ATP 13.8973
429 3O0G 3O0 14.0411
430 1UNH IXM 14.0411
431 4IEN GDP 14.1104
432 3SCH TB6 14.1414
433 1ZZ7 S0H 14.1414
434 5N49 8LW 14.8148
435 4YZC STU 15.1057
436 2QL9 CIT 15.6069
437 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 15.7895
438 2A19 ANP 15.8451
439 3H0L ADP 15.9574
440 1SL6 GAL NDG FUC 16.3043
441 3HMO STU 16.3743
442 1ZY5 ANP 16.5016
443 1Q3P GLU ALA GLN THR ARG LEU 16.5138
444 3EFS BTN 17.1674
445 4Y93 746 17.2205
446 2X2M X2M 17.5159
447 1KTG AMP 18.1159
448 3VHE 42Q 18.1269
449 5EH0 5NW 18.2171
450 5VM6 9EG 18.2482
451 1N13 AG2 18.5841
452 2QQC AG2 18.75
453 3PNA CMP 18.8312
454 1ZEI CRS 18.8679
455 1PHK ATP 19.4631
456 1U5R ATP 19.6375
457 2WU6 DKI 19.6375
458 5LX6 78P 19.8953
459 3E8N ATP 19.9396
460 3E8N VRA 19.9396
461 5WNL STU 19.9396
462 5HWV MBN 20
463 2OO8 RAJ 20.1893
464 4IX4 ADP 20.2417
465 3C1X CKK 20.2417
466 4WW7 AMP 20.6897
467 3ZW2 NAG GAL FUC 20.6897
468 6GNO XDI 20.7407
469 5N87 N66 21.0863
470 5VC5 96M 21.1073
471 2F2U M77 21.4502
472 4H3P ANP 21.4502
473 4H3Q ANP 21.4502
474 3UIM ANP 21.4724
475 3LXN MI1 22.0126
476 5MY8 RXZ 22.0544
477 5JGA 6KC 22.2222
478 4DC2 ADE 22.3565
479 3F7Z 34O 22.3565
480 5BVE 4VG 22.3565
481 2JLD AG1 22.3565
482 4PNI KQQ 22.3565
483 3ZRM ZRM 22.3565
484 5Y86 HRM 22.3565
485 4L9I 8PR 22.3565
486 2XVD AS6 22.5166
487 5MJA 7O3 22.623
488 5LI9 ACP 22.6586
489 1CM8 ANP 22.6586
490 3WUD GLC GAL 22.7941
491 2WEL K88 22.9358
492 4CLI 5P8 22.9358
493 4QTB 38Z 22.9607
494 2V7O DRN 22.9607
495 5WO4 B7V 23.5099
496 3IWD M2T 23.5294
497 1OUK 084 23.565
498 4LOO SB4 23.565
499 3TXO 07U 23.8671
500 3SXS PP2 23.8806
501 2VZ6 FEF 23.9617
502 2P7Q GG6 24.0602
503 3GC8 B45 24.1692
504 5NKB 8ZT 24.183
505 4AUA 4AU 24.43
506 4OTH DRN 24.4713
507 6C7Y ADP 24.8252
508 2VN9 GVD 24.9169
509 5LI1 ANP 25
510 4MN3 ACE PHE ALA TYR M3L SER NH2 25
511 4QXB OGA 25
512 6GUE FB8 25.1656
513 5TO8 7FM 25.1773
514 4BCM T7Z 25.2492
515 4BCQ TJF 25.2492
516 4BCN T9N 25.3333
517 4NST ADP 25.3776
518 2XMY CDK 25.5034
519 5LMK 6ZK 25.5892
520 4P5Z Q7M 25.6798
521 5T8O 76Z 25.6798
522 4GJ3 0XP 25.8278
523 2BPM 529 25.89
524 5EFQ ADP 25.9819
525 5C03 AGS 26.284
526 4FG8 ATP 26.284
527 5EKO N17 26.284
528 5TBM 79A 26.4957
529 5ZTN CUR 26.5861
530 5EOB 5QQ 26.6458
531 5X8I SQZ 26.8882
532 3IGO ANP 26.8882
533 4IDT T28 26.8882
534 5USZ SKE 26.9896
535 3GC0 AMP 27.0517
536 4CFU 2WC 27.0627
537 2B9H ADP 27.1903
538 3TTI KBI 27.1903
539 4WHZ 3NL 27.1903
540 2B9I ADP 27.1903
541 5LPZ ADP 27.1903
542 2B9J ADP 27.1903
543 3PTG 932 27.1903
544 5TA6 79D 27.3743
545 4WOV 3SM 27.4448
546 6FYL 3NG 27.4924
547 4UX9 ANP 27.4924
548 2B9F ADP 27.4924
549 5FBN 5WF 27.6753
550 4E1Z 0MX 27.8351
551 6G33 5ID 28.0967
552 4WNK 453 28.7009
553 4Y85 499 28.7009
554 5HCY 60D 29.003
555 5UKL SIX 29.003
556 3PVW QRX 29.003
557 3FC2 IBI 29.2537
558 3PLS ANP 29.5302
559 3BZ3 YAM 29.7101
560 4K33 ACP 29.8462
561 6CMJ F6J 29.9065
562 4BHN BH9 29.9094
563 3PP0 03Q 30.1775
564 6C0T EE4 30.2115
565 1VJY 460 30.363
566 5LPB ADP 30.4054
567 6GU6 1QK 30.4636
568 5HQ0 LZ9 30.4636
569 6FYV 3NG 30.5136
570 5AWM ANP 30.5136
571 1XJD STU 30.8157
572 2QCS ANP 30.8157
573 4WB7 ATP 30.8157
574 3NW7 LGV 30.9446
575 2GU8 796 31.1178
576 3FHI ANP 31.1178
577 3E7O 35F 31.1178
578 1RE8 BD2 31.1178
579 4WB6 ATP 31.1178
580 3IDB ANP 31.1178
581 4YMJ 4EJ 31.25
582 4QMN DB8 31.2903
583 2WEI VGG 31.3589
584 5JKG 6LF 31.5113
585 1K3A ACP 31.7726
586 2F57 23D 31.8612
587 2ZV2 609 31.8792
588 3SLS ANP 31.9079
589 3SLS 77D 31.9079
590 3GQI ACP 32.2086
591 6A1G 9OL 32.6284
592 3BU5 ATP 32.6797
593 3EKK GS2 32.899
594 3RI1 3RH 32.9073
595 2PVF ACP 32.9305
596 3HZT J60 33.2326
597 4ONA UW1 33.2326
598 4NM5 ADP 33.3333
599 6E2O S0L 33.5593
600 4AG8 AXI 33.8608
601 1IR3 ANP 33.9869
602 5UR1 YY9 34.0836
603 3KRL KRL 34.139
604 5HES 032 34.202
605 1V0O INR 34.375
606 4FF8 14S 34.4411
607 5CEO 50D 35
608 4AT3 LTI 35.1171
609 4E93 GUI 35.6495
610 5U6C 7YS 35.873
611 1OPK P16 35.9517
612 4ASE AV9 36.2606
613 6GQM F8H 36.2805
614 4U0I 0LI 36.5079
615 3VRY B43 36.5559
616 1Y57 MPZ 36.858
617 2H8H H8H 36.858
618 4UXL 5P8 36.9565
619 3ALN ANP 37.0031
620 5JFS 6K0 37.013
621 4FL3 ANP 37.4622
622 4Q5H ANP 37.931
623 4I6H 1C8 37.987
624 4IZY 1J2 38.0665
625 5DBX ANP 38.9728
626 1BYG STU 39.5683
627 1U59 STU 40.0697
628 4RFM 3P6 42.4812
629 4EWH T77 42.5455
630 3G5D 1N1 42.6573
631 2OFV 242 43.3213
632 4CSV STI 43.6364
633 1O9U ADZ 44.4444
634 2HK5 1BM 44.4444
635 4TWP AXI 44.6494
636 3SRV S19 45.4874
637 4F4P 0SB 46.1538
638 5H2U 1N1 47.191
639 6CZ3 FLJ 47.7273
Pocket No.: 2; Query (leader) PDB : 5W4W; Ligand: 9WG; Similar sites found with APoc: 39
This union binding pocket(no: 2) in the query (biounit: 5w4w.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 5EZU MYR None
2 1MID LAP None
3 2Z77 NCA None
4 5CPR 539 1.86567
5 4GLW NMN 2.29508
6 4LUT DCS 2.41692
7 5OO5 UUA 2.41692
8 5EXK 5AD 2.71903
9 4XWM CBI 2.71903
10 2HFK E4H 2.82132
11 1Q11 TYE 3.02115
12 4WUJ FMN 3.02115
13 2PTM CMP 3.0303
14 4K55 H6P 3.22581
15 4KYS VIB 3.32326
16 5DKK FMN 3.44828
17 5D3X 4IP 3.59281
18 4YRI 4JH 3.62538
19 4LIT AKG 3.6855
20 4MA6 28E 4.4586
21 1JBU BEN 4.72441
22 1M1B SPV 4.74576
23 3VKC FPQ 4.8951
24 1S68 AMP 6.0241
25 4C2G ALA ALA ALA ALA 6.0423
26 3BJE URA 6.34441
27 6DW2 HD4 6.75105
28 3THR C2F 6.82594
29 4FE2 ADP 7.05882
30 3TM0 ANP 7.22433
31 1KDK DHT 9.03955
32 5EFW FMN 10
33 4H6B 10X 10.2564
34 4CSD MFU 10.6618
35 4KAX 4IP 11.1801
36 1TD2 PXL 12.1951
37 1C9K 5GP 12.2222
38 4YEF 4CQ 13.4831
39 3I7V ATP 14.1791
Pocket No.: 3; Query (leader) PDB : 5W4W; Ligand: 9WG; Similar sites found with APoc: 94
This union binding pocket(no: 3) in the query (biounit: 5w4w.bio4) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 2GJ5 VD3 None
2 4CNK MEU 0.906344
3 3RGA LSB 1.76678
4 6DEF GCP 1.81269
5 4HE2 AMP 2.1148
6 4C5N PXL 2.17391
7 4D52 GXL 2.22222
8 4D52 GIV 2.22222
9 4GLW 0XT 2.29508
10 4AF0 MOA 2.41692
11 4HY1 19X 2.41692
12 3WO0 ALA 2.41692
13 3WO0 ADP 2.41692
14 4M3P HCS 2.41692
15 4Y30 SAH 2.41692
16 3HPY MCT 2.589
17 1RDL MMA 2.65487
18 5F1V 3VN 2.6936
19 2CFM AMP 2.71903
20 5A7V MAN 2.71903
21 5A7V BMA 2.71903
22 5TUF TDC 2.71903
23 5H06 MAL 2.96875
24 3KAL ADP 3.02115
25 3DLG GWE 3.02115
26 6E1Q CFA 3.02115
27 2ORO 228 3.02115
28 5OFW 9TW 3.13901
29 3UW4 MAA CHG PRO 0DQ 3.26087
30 5KY9 GDP 3.32326
31 1UMZ BGC BGC XYS BGC XYS GAL 3.32326
32 2VD9 IN5 3.32326
33 2VD9 EPC 3.32326
34 5KD6 6C7 3.32326
35 1LVW TYD 3.38983
36 5HV7 RBL 3.62538
37 3OF1 CMP 3.65854
38 1IT7 GUN 3.78007
39 2RAB FAD 3.92749
40 3T34 GDP 3.92749
41 3II1 BGC 3.92749
42 3P7N FMN 3.92749
43 6MDE MEV 3.9604
44 1YRO UDP 4.06504
45 4RW3 IPD 4.30464
46 2QX0 PH2 4.40252
47 4AVV CD 4.41176
48 3TY5 ATP 4.53172
49 5W10 CMP 4.61538
50 5D63 FUC GLA GLA 4.77816
51 2C5S AMP 4.83384
52 5FII PHE 4.90196
53 2BVE PH5 5.04202
54 5X7Q GLC GLC GLC GLC GLC 5.13595
55 4NS0 PIO 5.26316
56 4M1U A2G MBG 5.38721
57 2Q8M AMP 5.43807
58 1CKN GTP 5.45455
59 6BJO DUY 5.6
60 5XQW 8EU 5.6872
61 2WSA MYA 5.74018
62 2WSA 646 5.74018
63 6GN6 MAL 5.74018
64 4XCB AKG 5.74713
65 2Z48 NGA 6.0423
66 4MTI 2DX 6.08696
67 4F8L AES 6.2069
68 1IOW PHY 6.20915
69 1IOW ADP 6.20915
70 1DMY AZM 6.34441
71 1OFZ FUL 6.41026
72 1OKE BOG 6.59898
73 1GZF NIR 6.63507
74 4J7U NAP 6.94444
75 4J7U YTZ 6.94444
76 5WL1 CUY 7.07071
77 5WL1 D3D 7.07071
78 5LXT GTP 7.85498
79 3N7S 3N7 8.69565
80 3Q3H UDP 8.76133
81 5C4L SIS 9.06344
82 4DE3 DN8 9.12547
83 5KJZ PCG 10
84 3OCP CMP 10.0719
85 1M6P M6P 10.5263
86 2I6A 5I5 10.7246
87 4HKP 16B 11.2179
88 2YPI PGA 11.336
89 1PVC ILE SER GLU VAL 14.7059
90 3G08 FEE 15.1515
91 3GD8 GOL 16.5919
92 4IA6 EIC 16.9184
93 3O5N BR0 19.6429
94 4X3R 686 19.9396
Pocket No.: 4; Query (leader) PDB : 5W4W; Ligand: 9WG; Similar sites found with APoc: 42
This union binding pocket(no: 4) in the query (biounit: 5w4w.bio3) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 4B2Z P5S 2.1148
3 4D4U FUC GAL NAG 2.22222
4 6GR0 F8W 2.29885
5 4U03 TLL 2.41692
6 4U03 GTP 2.41692
7 5JSP DQY 2.48756
8 2HK9 SKM 2.54545
9 2EV9 SKM 2.6616
10 5TUF FAD 2.71903
11 2RCU BUJ 2.71903
12 1M15 ADP 3.02115
13 1M15 ARG 3.02115
14 4J6O CIT 3.40909
15 3WBD SIA SIA SIA SIA SIA SIA SIA 3.65854
16 4P86 5GP 3.82514
17 5MUA GAL 3.84615
18 5XDT MB3 3.92749
19 3PAK MAN 4.05405
20 1UW1 ADP 5
21 5A89 FMN 5.12821
22 5A89 ADP 5.12821
23 3CGD FAD 5.13595
24 3CGD COA 5.13595
25 2ZL4 ALA ALA ALA ALA 5.61225
26 5H9Q TD2 5.80645
27 4KU7 PCG 5.88235
28 2VQ5 HBA 5.97015
29 1Y0G 8PP 6.28272
30 2BSA FAD 6.60066
31 2BSA NAP 6.60066
32 4P25 FUC GAL NAG FUC 6.62252
33 1XVB BHL 7.05882
34 3KDM TES 7.55556
35 2YY8 MTA 8.95522
36 2W5P CL8 9.66767
37 1TIQ COA 10
38 5UN9 NHT 12.0846
39 4FHD EEM 14.1304
40 4FHD 0TT 14.1304
41 5COU ATP 14.7059
42 3OKA GDD 19.0476
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