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Receptor
PDB id Resolution Class Description Source Keywords
3F7Z 2.4 Å EC: 2.7.11.26 X-RAY CO-CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3BETA COMPLEX WITH AN INHIBITOR HOMO SAPIENS ENZYME PROTEIN KINASE INHIBITOR CO-CRYSTAL STRUCTURE ATP-KINASE NUCLEOTIDE-BINDING PHOSPHOPROTEIN SERINE/THREONINKINASE TRANSFERASE WNT SIGNALING PATHWAY
Ref.: DESIGN, SYNTHESIS AND STRUCTURE-ACTIVITY RELATIONSH 1,3,4-OXADIAZOLE DERIVATIVES AS NOVEL INHIBITORS OF SYNTHASE KINASE-3BETA. BIOORG.MED.CHEM. V. 17 2017 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
34O A:3000;
B:3000;
Valid;
Valid;
none;
none;
ic50 = 65 nM
360.36 C17 H13 F N2 O4 S COc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3F7Z 2.4 Å EC: 2.7.11.26 X-RAY CO-CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3BETA COMPLEX WITH AN INHIBITOR HOMO SAPIENS ENZYME PROTEIN KINASE INHIBITOR CO-CRYSTAL STRUCTURE ATP-KINASE NUCLEOTIDE-BINDING PHOSPHOPROTEIN SERINE/THREONINKINASE TRANSFERASE WNT SIGNALING PATHWAY
Ref.: DESIGN, SYNTHESIS AND STRUCTURE-ACTIVITY RELATIONSH 1,3,4-OXADIAZOLE DERIVATIVES AS NOVEL INHIBITORS OF SYNTHASE KINASE-3BETA. BIOORG.MED.CHEM. V. 17 2017 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3F7Z ic50 = 65 nM 34O C17 H13 F N2 O4 S COc1ccc(cc....
2 3GB2 ic50 = 210 nM G3B C18 H14 N2 O3 S Cc1nnc(o1)....
3 5K5N ic50 = 466 nM 6QH C16 H16 Cl N5 O3 COc1ccc(cc....
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4PTE ic50 = 74 nM 2WF C18 H15 N3 O c1cc(cc2c1....
2 1PYX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 1Q5K Ki = 38 nM TMU C12 H12 N4 O4 S COc1ccc(cc....
4 3I4B Ki = 7 nM Z48 C24 H23 N5 O2 Cc1cnc(nc1....
5 1Q3D ic50 = 15 nM STU C28 H26 N4 O3 C[C@@]12[C....
6 1J1B - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 1Q3W ic50 = 4 nM ATU C16 H11 N3 O3 c1ccc2c(c1....
8 5KPK ic50 = 0.005 uM 6VK C22 H25 N3 O C[C@@]1(c2....
9 1R0E - DFN C22 H20 F N3 O4 Cn1cc(c2c1....
10 4PTG ic50 = 5.9 nM 2WG C15 H15 N5 O3 COc1c(cnc(....
11 2JLD ic50 < 0.04 nM AG1 C27 H17 F N4 O7 Ru C[C@@H](C(....
12 4ACC Ki = 20 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
13 3DU8 ic50 = 0.146 uM 553 C13 H14 F N5 O c1cnc(nc1c....
14 6AE3 Kd = 0.0000666 M MRI C15 H10 O7 c1cc(c(cc1....
15 1J1C - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 5HLP ic50 = 0.054 uM 65A C20 H21 N3 O2 Cc1c2c(c3c....
17 1Q41 ic50 = 22 nM IXM C16 H11 N3 O2 c1ccc2c(c1....
18 3F7Z ic50 = 65 nM 34O C17 H13 F N2 O4 S COc1ccc(cc....
19 3GB2 ic50 = 210 nM G3B C18 H14 N2 O3 S Cc1nnc(o1)....
20 5K5N ic50 = 466 nM 6QH C16 H16 Cl N5 O3 COc1ccc(cc....
50% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4PTE ic50 = 74 nM 2WF C18 H15 N3 O c1cc(cc2c1....
2 1PYX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 1Q5K Ki = 38 nM TMU C12 H12 N4 O4 S COc1ccc(cc....
4 3I4B Ki = 7 nM Z48 C24 H23 N5 O2 Cc1cnc(nc1....
5 1Q3D ic50 = 15 nM STU C28 H26 N4 O3 C[C@@]12[C....
6 1J1B - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 1Q3W ic50 = 4 nM ATU C16 H11 N3 O3 c1ccc2c(c1....
8 5KPK ic50 = 0.005 uM 6VK C22 H25 N3 O C[C@@]1(c2....
9 1R0E - DFN C22 H20 F N3 O4 Cn1cc(c2c1....
10 4PTG ic50 = 5.9 nM 2WG C15 H15 N5 O3 COc1c(cnc(....
11 2JLD ic50 < 0.04 nM AG1 C27 H17 F N4 O7 Ru C[C@@H](C(....
12 4ACC Ki = 20 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
13 3DU8 ic50 = 0.146 uM 553 C13 H14 F N5 O c1cnc(nc1c....
14 6AE3 Kd = 0.0000666 M MRI C15 H10 O7 c1cc(c(cc1....
15 1J1C - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 5HLP ic50 = 0.054 uM 65A C20 H21 N3 O2 Cc1c2c(c3c....
17 1Q41 ic50 = 22 nM IXM C16 H11 N3 O2 c1ccc2c(c1....
18 3F7Z ic50 = 65 nM 34O C17 H13 F N2 O4 S COc1ccc(cc....
19 3GB2 ic50 = 210 nM G3B C18 H14 N2 O3 S Cc1nnc(o1)....
20 5K5N ic50 = 466 nM 6QH C16 H16 Cl N5 O3 COc1ccc(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 34O; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 34O 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3F7Z; Ligand: 34O; Similar sites found with APoc: 491
This union binding pocket(no: 1) in the query (biounit: 3f7z.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 3HP8 SUC None
2 4OUJ LBT 1.30293
3 5TT6 ATP 1.42857
4 1VRP IOM 1.42857
5 3S6X SIA GAL BGC 1.53846
6 2PUL ACP 1.71429
7 2CFM AMP 1.71429
8 3KAL ADP 1.71429
9 2QS8 MET 1.71429
10 1CKN GTP 1.81818
11 3AKK ADP 1.84615
12 5DZT AMP 2
13 5AE9 OKO 2
14 6EZ6 C5Z 2
15 1U6R IOM 2
16 4WAS NAP 2
17 3VEH 0GA 2
18 4WAS COO 2
19 3UG4 AHR 2
20 3W0O HY0 2.00573
21 3W0O ADP 2.00573
22 3VPC ADP 2.12766
23 1DQX BMP 2.24719
24 4GYI ADP 2.28571
25 5OES ADP 2.28571
26 2YRX AMP 2.28571
27 5VZ0 ADP 2.28571
28 5OLK DTP 2.28571
29 2ZYI STE 2.28571
30 1GPM AMP 2.28571
31 3T1A 5MA 2.28571
32 3ORQ ADP 2.28571
33 1FUR MLT 2.28571
34 2X6T NAP 2.28571
35 4GCZ FMN 2.28571
36 3UDG TMP 2.32558
37 3BF1 PAU 2.40964
38 2AQX ATP 2.42215
39 4NZN 2OU 2.42424
40 4NZN ANP 2.42424
41 1TZD ADP 2.54545
42 4OCJ NDG 2.57143
43 2IF8 ADP 2.57143
44 3TKY N7I 2.57143
45 1EQ2 NAP 2.58065
46 5ZCT ANP 2.61438
47 1W2D ADP 2.64151
48 1W2D 4IP 2.64151
49 4OCV ANP 2.85714
50 3ETH ATP 2.85714
51 1EHI ADP 2.85714
52 3V4S ATP 2.85714
53 2Q4W FAD 2.85714
54 3VSV XYS 2.85714
55 5FPN KYD 2.85714
56 1I7L ATP 2.91262
57 2TOH HBI 2.91545
58 5GZ9 ANP 2.95082
59 1ZDQ MSM 2.97619
60 4NJH SAM 3.04348
61 4NJH 2K8 3.04348
62 1PVN MZP 3.19149
63 4WW7 AMP 3.20856
64 5K2M ADP 3.2967
65 2OVD DAO 3.2967
66 2BVE PH5 3.36134
67 5TDF ADP 3.39506
68 2QK4 ATP 3.42857
69 3X01 AMP 3.42857
70 2BMB PMM 3.42857
71 5IM3 DTP 3.42857
72 3TY5 ADP 3.42857
73 3TY5 ATP 3.42857
74 3BP1 GUN 3.44828
75 3PN1 IVH 3.45912
76 1GSA ADP 3.48101
77 1ZTH ADP 3.48837
78 1ZP9 ATP 3.48837
79 3RE4 TO1 3.48837
80 3I0O ADP 3.53982
81 3WXB NDP 3.58423
82 1IOW PHY 3.59477
83 1IOW ADP 3.59477
84 1OBD ATP 3.59477
85 1D2N ANP 3.67647
86 3WVR AMP 3.71429
87 2V58 LZJ 3.71429
88 2VQD AP2 3.71429
89 4MV1 ADP 3.71429
90 5ZMY TAR 3.71429
91 4WOE 3S5 3.71429
92 4LH7 1X8 3.71517
93 2QX0 PH2 3.77358
94 2D6M LBT 3.77358
95 4CC6 L5Y 3.77358
96 5N26 CPT 3.84615
97 4XZ3 ACP 3.91304
98 4XYM A12 3.91304
99 4FE2 ADP 3.92157
100 3AB4 THR 3.93258
101 2DTJ THR 3.93258
102 6C1S EFV 4
103 5MW8 ATP 4
104 2VPQ ANP 4
105 4U98 ACP 4
106 3SUC ATP 4
107 1Z2P ACP 4.01235
108 1Z2P I3S 4.01235
109 4O4F IHP 4.03226
110 4O4F ATP 4.03226
111 1NU4 MLA 4.12371
112 4R78 AMP 4.20712
113 3U1T MLI 4.20712
114 2GQS ADP 4.21941
115 2GQR ADP 4.21941
116 3UDZ ADP 4.28571
117 4PU5 ANP 4.28571
118 6FL8 ADP 4.28571
119 6FL8 TIY 4.28571
120 4CCN OGA 4.28571
121 4Y3O OGA 4.28571
122 3DLG GWE 4.28571
123 4CCK OGA 4.28571
124 1P6O HPY 4.34783
125 5CSD ACD 4.40252
126 6BMN PAP 4.40678
127 1AUX AGS 4.50161
128 4RDL FUC GAL NDG FUC 4.54545
129 5I35 ANP 4.57143
130 4GLW 0XT 4.59016
131 1XDN ATP 4.69314
132 1RV1 IMZ 4.70588
133 1FUT 2GP 4.71698
134 4LRJ ANP 4.73373
135 3SJK LYS PRO VAL LEU ARG THR ALA 4.73684
136 5VLQ ANP 4.85714
137 2Y65 ADP 4.85714
138 3N26 ARG 4.87805
139 5IGI ZIT 4.98339
140 5IGI GMP 4.98339
141 3SHR CMP 5.01672
142 2HGS ADP 5.14286
143 3DNT ATP 5.14286
144 5DXT 5H5 5.14286
145 3TPV ADE 5.14286
146 1PK8 ATP 5.21327
147 5IH1 6BQ 5.29801
148 5IH1 GDP 5.29801
149 2PR5 FMN 5.30303
150 5YK1 ANP 5.42857
151 6CZ7 MGD 5.42857
152 5EQY 5RA 5.71429
153 3PNA CMP 5.84416
154 1S68 AMP 6.0241
155 4BUY F37 6.25
156 4UWH JXM 6.28571
157 3TII ANP 6.28571
158 4I94 ANP 6.33333
159 3HAV ATP 6.35452
160 2WT9 NIO 6.38298
161 3VPD ANP 6.40569
162 4AZW ATP 6.57143
163 4M52 M52 6.57143
164 4O1P ANP 6.85714
165 2Q7D ANP 6.93642
166 5FI4 5XV 7.14286
167 4XCB AKG 7.27969
168 1TD2 PXL 7.31707
169 1M0W ANP 7.42857
170 5C1P ADP 7.51634
171 5C1P DAL DAL 7.51634
172 5C8W PCG 7.69231
173 2IO8 ADP 7.71429
174 3WO0 ADP 7.71429
175 3WO0 ALA 7.71429
176 3K5I ADP 7.71429
177 3K5I AIR 7.71429
178 4OAV ACP 8
179 2R7K ACP 8
180 2R7K AMZ 8
181 2YW2 ATP 8
182 6CGD AKN 8.19672
183 6CGD GNP 8.19672
184 5WBF LAC 8.51852
185 5WQP NAP 8.54701
186 3VOT ADP 8.57143
187 4Q5H ANP 8.62069
188 3OCP CMP 8.63309
189 3TDV GDP 8.82353
190 1T36 ADP 8.85714
191 5URY PAM 8.90411
192 5LXT ACP 9.09091
193 3SK2 GRI 9.09091
194 4A0S NAP 9.14286
195 4WVO 3UZ 9.39227
196 4L2I NAD 9.88593
197 4AZ3 S35 10.3226
198 4DFU QUE 10.559
199 4ZS4 ATP 10.7492
200 5C4L 4XR 10.9034
201 5C4L SIS 10.9034
202 1CBK ROI 11.25
203 1TQP ATP 11.3475
204 3Q60 ATP 11.4286
205 5FS0 5JC 11.8483
206 3PDT ADP 12
207 1IHU AF3 12
208 1IHU ADP 12
209 2BKK ADP 12.1212
210 3PAK MAN 12.1622
211 3TM0 ANP 12.1673
212 3TM0 B31 12.1673
213 5CKW ANP 12.2857
214 3VPB ADP 12.5
215 2PYW ADP 13.1429
216 1IA9 ANP 13.2143
217 5KBE IPH 13.5371
218 6GG9 FMN 13.5802
219 6G34 5ID 14.2857
220 4OUC 5ID 14.2857
221 2X2M X2M 17.1975
222 2PVF ACP 17.9641
223 5DMZ ADP 18.2857
224 3GQI ACP 18.4049
225 4K33 ACP 18.4615
226 4CYI ATP 18.8571
227 3RI1 3RH 19.1693
228 5UR1 YY9 19.2926
229 6AC9 ANP 20
230 4XH0 ADP 20.2857
231 5WNL STU 20.4678
232 3KMW ATP 20.6642
233 4ASE AV9 21.4286
234 6ES0 BW8 21.7666
235 4G17 0VN 21.8182
236 6GZD LCI 22
237 5W4W 9WG 22.3565
238 5OKT 9XK 23.5669
239 4AG8 AXI 23.7342
240 4PZ6 GMP 23.8095
241 2CSN CKI 23.9057
242 4WOV 3SM 23.9748
243 5VC5 96M 24.2215
244 3VHE 42Q 24.5125
245 5KO1 6UY 24.735
246 4IX4 ADP 25.1429
247 4P5Z Q7M 25.7143
248 2PZI AXX 26
249 3FHR P4O 26.5714
250 3PP0 03Q 26.5714
251 5C03 AGS 26.8571
252 5T8O 76Z 26.9341
253 2WU6 DKI 27.1429
254 6C0T EE4 27.3775
255 4Y93 746 27.4286
256 3C1X CKK 27.4286
257 4E93 GUI 28
258 3KRL KRL 28.0597
259 3H9R TAK 28.1818
260 1JPA ANP 28.2051
261 5U6C 7YS 28.254
262 6BFN DL1 28.3626
263 4IDT T28 28.5714
264 2H8H H8H 28.5714
265 1Y57 MPZ 28.5714
266 5QIN J2V 28.7975
267 4NFN 2KC 28.8026
268 4PNI KQQ 28.8571
269 2R5T ANP 28.8571
270 6FYL 3NG 28.8571
271 6GIN IR2 28.9037
272 4CLI 5P8 29.052
273 4Y0X ADP 29.0667
274 5LI1 ANP 29.1429
275 5LI9 ACP 29.1429
276 4F9C 0SX 29.1429
277 4DC2 ADE 29.1429
278 4Y85 499 29.2169
279 4YZC STU 29.4286
280 4L9I 8PR 29.4286
281 5HCY 60D 29.6073
282 4BHN BH9 29.6407
283 3EKK GS2 29.6417
284 4UAL 3FV 29.7143
285 2YAB AMP 29.7143
286 3VRY B43 29.7143
287 3BU5 ATP 29.7386
288 1IR3 ANP 29.7386
289 4FF8 14S 30.031
290 5EOB 5QQ 30.094
291 4UXL 5P8 30.1242
292 4X7Q 3YR 30.1282
293 5MJA 7O3 30.1639
294 2Y6O 1N1 30.2405
295 3TXO 07U 30.2857
296 6BXI ANP 30.3303
297 4M69 ANP 30.3514
298 5JFS 6K0 30.5195
299 1BYG STU 30.5755
300 3NW7 LGV 30.6189
301 5NKB 8ZT 30.719
302 1XJD STU 30.7246
303 1OPK P16 30.8571
304 5DBX ANP 31.0976
305 3PVW QRX 31.1429
306 5UKL SIX 31.1429
307 4Y8D 49J 31.1765
308 5UIU 8CG 31.2694
309 4U44 3D9 31.3253
310 1VJY 460 31.3531
311 2F2U M77 31.4286
312 1K3A ACP 31.4381
313 5UPK ANP 31.5029
314 2OO8 RAJ 31.5457
315 4YMJ 4EJ 31.5789
316 1U5R ATP 31.6092
317 4X3H ARG ILE PRO SER TYR ARG TYR ARG TYR 31.6456
318 2XVD AS6 31.7881
319 3LXK MI1 31.8043
320 5LPZ ADP 32.2289
321 5M06 ADP 32.2464
322 5MY8 RXZ 32.2857
323 4EUU BX7 32.2884
324 6CQF F97 32.3232
325 5CEO 50D 32.3333
326 4OH4 ANP 32.4324
327 4AT3 LTI 32.4415
328 5IH9 6BF 32.5373
329 3V8S 0HD 32.5714
330 4QMN DB8 32.5806
331 4BFM ANP 32.6347
332 1U59 STU 32.7526
333 5JKG 6LF 32.7974
334 3UIM ANP 32.8221
335 5DRB 5FJ 32.9897
336 3LXN MI1 33.0189
337 4WB7 ATP 33.1429
338 5TA6 79D 33.1429
339 4JR7 GNP 33.1429
340 3PLS ANP 33.2215
341 3KN5 ANP 33.2308
342 4WB6 ATP 33.4286
343 2J7T 274 33.4437
344 5Y80 IRE 33.8658
345 5HES 032 33.8762
346 6F3G CJN 33.8983
347 6E2O S0L 33.8983
348 3FHI ANP 34
349 2F57 23D 34.0694
350 5AX9 4KT 34.0909
351 3DAK ANP 34.1379
352 3GGF GVD 34.2193
353 4FL3 ANP 34.2857
354 5DH3 5BS 34.2857
355 2OFV 242 34.296
356 4OTH DRN 34.3109
357 4E1Z 0MX 34.3643
358 3ORK AGS 34.4051
359 3IDB ANP 34.5714
360 1RE8 BD2 34.5714
361 2QCS ANP 34.5714
362 4GJ3 0XP 34.7682
363 3IGO ANP 34.8571
364 5USZ SKE 34.9481
365 6GQM F8H 35.061
366 3GNI ATP 35.1429
367 3AQV TAK 35.1449
368 3FC2 IBI 35.2239
369 3G5D 1N1 35.3147
370 4G31 0WH 35.4515
371 5HVJ ANP 35.5556
372 2WQN ADP 35.8064
373 4U0I 0LI 35.873
374 4XV1 904 35.9589
375 3HZT J60 36
376 5LPB ADP 36.1486
377 5TO8 7FM 36.1702
378 2GU8 796 36.2018
379 5VCV 1N1 36.3344
380 4I6H 1C8 36.3636
381 4TWP AXI 36.5314
382 3C0G 3AM 36.5714
383 2A19 ANP 36.6197
384 4A4X JUP 36.9176
385 3SXS PP2 36.9403
386 6CMJ F6J 37.0717
387 5XVG 8FX 37.2014
388 5JZJ AN2 37.7104
389 3SLS ANP 37.8289
390 4USF 6UI 37.8289
391 2YAK OSV 37.8947
392 4WNK 453 38
393 2Z7R STU 38.0062
394 5FBN 5WF 38.0074
395 4FG8 ATP 38.0952
396 6GWR FEW 38.0952
397 2RIO ADP 38.2857
398 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 38.3041
399 2JDR L20 38.3041
400 4YZN 4K5 38.3275
401 4N70 2HX 38.4146
402 3DLS ADP 38.5075
403 2HK5 1BM 38.5185
404 2WEL K88 38.5321
405 3HMO STU 38.5965
406 1ZY5 ANP 38.6139
407 4NW6 2NS 38.6997
408 4CRL C1I 38.8571
409 3TKI S25 39.0093
410 2HY0 306 39.1304
411 4L3L 5FI 39.1447
412 2VZ6 FEF 39.9361
413 3CY2 MB9 40.1274
414 2QLU ADE 40.1274
415 4CQE CQE 40.2878
416 5DEY 59T 40.404
417 3E8N ATP 40.4692
418 3E8N VRA 40.4692
419 2ZV2 609 40.604
420 2V7O DRN 40.7738
421 3M2W L8I 41.1371
422 5WO4 B7V 41.3907
423 4IJP 1EH 41.4286
424 4CSV STI 41.4545
425 5JGA 6KC 41.5873
426 4ONA UW1 41.7143
427 4F4P 0SB 41.7582
428 4WNP 3RJ 41.8118
429 4EWH T77 41.8182
430 5N87 N66 41.853
431 2VN9 GVD 41.8605
432 5OMY 9YE 41.9437
433 3MVH WFE 42.1053
434 5X8I SQZ 42.1965
435 6FYV 3NG 42.73
436 6G33 5ID 43.0678
437 2WEI VGG 43.2056
438 3SRV S19 43.3213
439 3ALN ANP 43.4251
440 5G1X ADP 43.5088
441 4C2V YJA 43.5088
442 5L8L ADP 43.5088
443 4RFM 3P6 43.609
444 6C7Y ADP 43.7063
445 5LXM ADP 43.8163
446 5Y86 HRM 44
447 5ODT ADP 44.1696
448 5H2U 1N1 44.1948
449 4C2W ANP 44.4444
450 5YF9 NIO 44.5428
451 3PTG 932 44.5714
452 3TTI KBI 44.5714
453 4WHZ 3NL 44.5714
454 6CZ3 FLJ 44.697
455 3PE2 E1B 44.8071
456 4NST ADP 44.8571
457 2PVN P63 44.8864
458 5EYK 5U5 44.9275
459 3E7O 35F 45.1429
460 3BZ3 YAM 45.2899
461 1PHK ATP 45.302
462 5ZTN CUR 45.4286
463 5EFQ ADP 45.5331
464 2XK9 XK9 45.6522
465 3RWP ABQ 45.6592
466 4UX9 ANP 45.7143
467 4IZY 1J2 45.7143
468 1Q8Y ADP 45.7143
469 3GC8 B45 45.7143
470 1Q8Y ADE 45.7143
471 4KS7 X4Z 45.8904
472 1CM8 ANP 46
473 5EKO N17 46
474 5AWM ANP 46.2857
475 3GC0 AMP 46.5046
476 5LVP ATP 46.6238
477 1OUK 084 46.8571
478 6A1G 9OL 46.8571
479 4LOO SB4 46.8571
480 5EW9 5VC 46.8635
481 5A6N U7E 47.3498
482 3E5A VX6 47.7612
483 4H3P ANP 47.7901
484 4H3Q ANP 48.0663
485 5BVE 4VG 48.4765
486 4AUA 4AU 48.5342
487 2B9F ADP 48.5714
488 5EH0 5NW 48.8372
489 2B9H ADP 48.8571
490 2B9I ADP 48.8571
491 2B9J ADP 48.8571
Pocket No.: 2; Query (leader) PDB : 3F7Z; Ligand: 34O; Similar sites found with APoc: 41
This union binding pocket(no: 2) in the query (biounit: 3f7z.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1CKM GTP 1.81818
2 1RZ1 NAD 1.86335
3 3B6R CRN 2
4 4ZGP ADP 2.04778
5 2QF7 AGS 2.57143
6 3V4S ADP 2.85714
7 6EOM ALA LYS 2.85714
8 1JG3 ADN 2.97872
9 5AVF TAU 3.11284
10 2Z49 AMG 3.14286
11 2Z48 A2G 3.14286
12 4CS9 AMP 3.1746
13 5COU ATP 3.52941
14 1ZBQ NAD 3.66972
15 1KJ8 GAR 3.71429
16 1KJ8 ATP 3.71429
17 5YW5 ADE 3.91061
18 5LX9 OLB 4.22535
19 3COB ADP 4.28571
20 5LXB 7A9 4.54545
21 4WVW SLT 4.86111
22 1E4E ADP 4.95627
23 6FYJ MYR 5.14286
24 5T63 ALA ALA ALA ALA 5.42857
25 4EN4 GT0 5.76923
26 4EN4 GT1 5.76923
27 4EN4 ATP 5.76923
28 2ET1 GLV 7.9602
29 4C5N ACP 7.97101
30 2XRH NIO 8
31 3ZS7 ATP 8.33333
32 5JIB OIA 8.60534
33 3OJI PYV 10.0529
34 2R00 OEG 10.4167
35 3WV6 GAL BGC 10.473
36 3LQV ADE 12.1739
37 5JBE MAL 13.7143
38 4LO2 GAL BGC 13.8514
39 6MJ7 ARG 14.5455
40 3SJ0 DXC 19.7183
41 5ML3 DL3 22.1477
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