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Receptor
PDB id Resolution Class Description Source Keywords
2OIC 2.4 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF IRAK4 KINASE DOMAIN COMPLEXED WITH STAUROSPORINE HOMO SAPIENS KINASE TRANSFERASE
Ref.: CUTTING EDGE: IL-1 RECEPTOR-ASSOCIATED KINASE 4 STRUCTURES REVEAL NOVEL FEATURES AND MULTIPLE CONFORMATIONS. J.IMMUNOL. V. 178 2641 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
STU A:1;
B:2;
C:3;
D:4;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
ic50 = 4 nM
466.531 C28 H26 N4 O3 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5UIU 2.02 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF IRAK4 IN COMPLEX WITH COMPOUND 30 HOMO SAPIENS TRANSFERASE IRAK4 KINASE
Ref.: DISCOVERY OF CLINICAL CANDIDATE 1-{[(2S,3S,4S) -3-ETHYL-4-FLUORO-5-OXOPYRROLIDIN-2-YL]METHOXY}-7-M QUINOLINE-6-CARBOXAMIDE (PF-06650833), A POTENT, SE INHIBITOR OF INTERLEUKIN-1 RECEPTOR ASSOCIATED KINA (IRAK4), BY FRAGMENT-BASED DRUG DESIGN. J. MED.
Members (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 117 families.
1 5T1T ic50 = 58 nM 76P C16 H20 N4 O3 CN(C)C1CCC....
2 5T1S ic50 = 84 nM 76Q C27 H29 N3 O Cc1cc(cc(c....
3 2NRU - T12 C22 H24 N4 O6 CC(C)(C)C(....
4 4YO6 - 4GD C17 H14 N6 O Cc1cc(n(n1....
5 5K7G ic50 = 0.002 uM 6R0 C25 H36 N6 O2 CN1[C@@H]2....
6 6F3I - CKN C22 H33 N7 O2 C[C@H](CC(....
7 5K72 ic50 = 0.006 uM 6QY C19 H29 N5 O CN(C)C1CCC....
8 5W85 ic50 = 10 nM 9YS C23 H23 N5 O2 S CNC(=O)c1c....
9 2OID - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
10 5K7I ic50 = 0.002 uM 6QZ C25 H36 N6 O2 CN1[C@H]2C....
11 4ZTN ic50 = 19 nM 4S3 C20 H24 N6 O2 S c1ccc2c(c1....
12 2NRY - STU C28 H26 N4 O3 C[C@@]12[C....
13 6F3D - CJT C21 H32 N6 O CN(C)C1CCC....
14 4ZTL ic50 = 1.2 uM 4S1 C20 H25 N5 O3 S CCCNc1ncc(....
15 4Y73 ic50 = 0.3 nM XPY C18 H21 F3 N8 O Cn1cc(c(n1....
16 5K75 ic50 = 0.14 uM 6QX C17 H24 N4 S CN(C)C1CCC....
17 2OIC ic50 = 4 nM STU C28 H26 N4 O3 C[C@@]12[C....
18 5UIS ic50 = 146 nM 8C1 C18 H23 N3 O3 CC(C)Oc1cc....
19 5UIT ic50 = 4.6 nM 8CD C18 H21 N3 O4 CC(C)Oc1cc....
20 5UIU ic50 = 0.2 nM 8CG C18 H20 F N3 O4 CC[C@H]1[C....
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 91 families.
1 5T1T ic50 = 58 nM 76P C16 H20 N4 O3 CN(C)C1CCC....
2 5T1S ic50 = 84 nM 76Q C27 H29 N3 O Cc1cc(cc(c....
3 2NRU - T12 C22 H24 N4 O6 CC(C)(C)C(....
4 4YO6 - 4GD C17 H14 N6 O Cc1cc(n(n1....
5 5K7G ic50 = 0.002 uM 6R0 C25 H36 N6 O2 CN1[C@@H]2....
6 6F3I - CKN C22 H33 N7 O2 C[C@H](CC(....
7 5K72 ic50 = 0.006 uM 6QY C19 H29 N5 O CN(C)C1CCC....
8 5W85 ic50 = 10 nM 9YS C23 H23 N5 O2 S CNC(=O)c1c....
9 2OID - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
10 5K7I ic50 = 0.002 uM 6QZ C25 H36 N6 O2 CN1[C@H]2C....
11 4ZTN ic50 = 19 nM 4S3 C20 H24 N6 O2 S c1ccc2c(c1....
12 2NRY - STU C28 H26 N4 O3 C[C@@]12[C....
13 6F3D - CJT C21 H32 N6 O CN(C)C1CCC....
14 4ZTL ic50 = 1.2 uM 4S1 C20 H25 N5 O3 S CCCNc1ncc(....
15 4Y73 ic50 = 0.3 nM XPY C18 H21 F3 N8 O Cn1cc(c(n1....
16 5K75 ic50 = 0.14 uM 6QX C17 H24 N4 S CN(C)C1CCC....
17 2OIC ic50 = 4 nM STU C28 H26 N4 O3 C[C@@]12[C....
18 5UIS ic50 = 146 nM 8C1 C18 H23 N3 O3 CC(C)Oc1cc....
19 5UIT ic50 = 4.6 nM 8CD C18 H21 N3 O4 CC(C)Oc1cc....
20 5UIU ic50 = 0.2 nM 8CG C18 H20 F N3 O4 CC[C@H]1[C....
50% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 5T1T ic50 = 58 nM 76P C16 H20 N4 O3 CN(C)C1CCC....
2 5T1S ic50 = 84 nM 76Q C27 H29 N3 O Cc1cc(cc(c....
3 2NRU - T12 C22 H24 N4 O6 CC(C)(C)C(....
4 4YO6 - 4GD C17 H14 N6 O Cc1cc(n(n1....
5 5K7G ic50 = 0.002 uM 6R0 C25 H36 N6 O2 CN1[C@@H]2....
6 6F3I - CKN C22 H33 N7 O2 C[C@H](CC(....
7 5K72 ic50 = 0.006 uM 6QY C19 H29 N5 O CN(C)C1CCC....
8 5W85 ic50 = 10 nM 9YS C23 H23 N5 O2 S CNC(=O)c1c....
9 2OID - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
10 5K7I ic50 = 0.002 uM 6QZ C25 H36 N6 O2 CN1[C@H]2C....
11 4ZTN ic50 = 19 nM 4S3 C20 H24 N6 O2 S c1ccc2c(c1....
12 2NRY - STU C28 H26 N4 O3 C[C@@]12[C....
13 6F3D - CJT C21 H32 N6 O CN(C)C1CCC....
14 4ZTL ic50 = 1.2 uM 4S1 C20 H25 N5 O3 S CCCNc1ncc(....
15 4Y73 ic50 = 0.3 nM XPY C18 H21 F3 N8 O Cn1cc(c(n1....
16 5K75 ic50 = 0.14 uM 6QX C17 H24 N4 S CN(C)C1CCC....
17 2OIC ic50 = 4 nM STU C28 H26 N4 O3 C[C@@]12[C....
18 5UIS ic50 = 146 nM 8C1 C18 H23 N3 O3 CC(C)Oc1cc....
19 5UIT ic50 = 4.6 nM 8CD C18 H21 N3 O4 CC(C)Oc1cc....
20 5UIU ic50 = 0.2 nM 8CG C18 H20 F N3 O4 CC[C@H]1[C....
21 3UIM - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
22 5LPB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: STU; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 STU 1 1
2 UCN 0.666667 0.892308
3 KSA 0.535714 0.882353
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5UIU; Ligand: 8CG; Similar sites found with APoc: 528
This union binding pocket(no: 1) in the query (biounit: 5uiu.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 1PVS 7HP 1.06383
2 1NF8 BOG 1.44928
3 4U98 ACP 1.54799
4 5XNC N4P 1.54799
5 3NEM ATP 1.54799
6 3A6T 8OG 1.55039
7 4CC6 L5Y 1.57233
8 2WW4 ADP 1.76678
9 5MRH Q9Z 1.85759
10 5OES ADP 1.85759
11 4CCO OGA 1.85759
12 3HQP OXL 1.85759
13 2Z9I GLY ALA THR VAL 1.85759
14 4WCX MET 1.85759
15 2VPQ ANP 1.85759
16 4CCK OGA 1.85759
17 3SAO DBH 1.875
18 4V03 ADP 1.94553
19 5ZCT ANP 1.96078
20 6DW2 HD4 1.96078
21 4RW3 IPD 1.98676
22 3VPC ADP 2.12766
23 1PK8 ATP 2.1327
24 3X01 AMP 2.16718
25 4CYI ATP 2.16718
26 4OCJ NDG 2.16718
27 2RIF AMP 2.16718
28 3K5I ADP 2.16718
29 6B2W AG2 2.16718
30 2ALG DAO 2.17391
31 5EY0 GTP 2.18978
32 2VWT PYR 2.24719
33 1ZTH ADP 2.32558
34 1ZP9 ATP 2.32558
35 1LH0 ORO 2.34742
36 1M1B SPV 2.37288
37 4BCS BTN 2.4
38 1SGJ OAA 2.46479
39 4G86 BNT 2.46479
40 1F9V ADP 2.47678
41 5DZT AMP 2.47678
42 2I4O ATP 2.47678
43 3B6R ADP 2.47678
44 1F52 ADP 2.47678
45 4OCV ANP 2.47678
46 4GYI ADP 2.47678
47 3S6X SIA GAL BGC 2.47678
48 5EQY 5RA 2.47678
49 6C1S EFV 2.47678
50 5T63 ALA ALA ALA ALA 2.47678
51 2YKL NLD 2.47678
52 3T1A 5MA 2.47678
53 3DRW AMP 2.47678
54 4DFU QUE 2.48447
55 5NC1 NAG 2.53165
56 1TZD ADP 2.54545
57 4R78 AMP 2.589
58 4ZS4 ATP 2.60586
59 1W2D ADP 2.64151
60 4CS9 AMP 2.6455
61 1OIK AKG 2.65781
62 1OIJ AKG 2.65781
63 5G6U TRP 2.68199
64 3OID TCL 2.71318
65 2AJ4 GLA 2.73723
66 4I9A NCN 2.77778
67 2PHX MAN MAN 2.77778
68 5MW8 ATP 2.78638
69 5YJS SAL 2.78638
70 3VOT ADP 2.78638
71 2Q8E OGA 2.78638
72 2P5B OGA 2.78638
73 4BTV RB3 2.78638
74 4TVD BGC 2.78638
75 2VQD AP2 2.78638
76 1U6R ADP 2.78638
77 5FPE 3TR 2.78638
78 3B99 U51 2.78638
79 3SZB I1E 2.78638
80 6EZ6 C5Z 2.78638
81 2IZ1 ATR 2.78638
82 2RDE C2E 2.78884
83 1AUX AGS 2.89389
84 3PDT ADP 2.90909
85 5CPR 539 2.98507
86 3CF6 SP1 2.99401
87 4INI AMP 3.07692
88 3KYG 5GP 5GP 3.0837
89 4BXF AKG 3.09598
90 3ORQ ADP 3.09598
91 2GOO NDG 3.09598
92 2IO8 ADP 3.09598
93 3V4S ATP 3.09598
94 5YK1 ANP 3.09598
95 5VLQ ANP 3.09598
96 1OBD ATP 3.09598
97 1VRP ADP 3.09598
98 3W54 RNB 3.09598
99 5K8P 6R8 3.09598
100 1IZC PYR 3.09598
101 2YW2 ATP 3.09598
102 1G51 AMP 3.09598
103 2YRX AMP 3.10421
104 5AEW BNL 3.19149
105 5DYO FLU 3.21101
106 4OUJ LBT 3.25733
107 1I06 TZL 3.33333
108 5WBF LAC 3.33333
109 3GLC R5P 3.38983
110 2XG5 EC5 3.40557
111 2XG5 EC2 3.40557
112 1WNB BTL 3.40557
113 1RYD GLC 3.40557
114 5KY9 GDP 3.40557
115 6FA4 D1W 3.40557
116 2VQ5 HBA 3.48259
117 3CBC DBS 3.53535
118 3VPD ANP 3.55872
119 6CGD GNP 3.60656
120 6CGD AKN 3.60656
121 3BF1 PAU 3.61446
122 6GNO XDI 3.7037
123 3I0O ADP 3.71517
124 3WVR AMP 3.71517
125 5C1P ADP 3.71517
126 1YFS ALA 3.71517
127 4LHD GLY 3.71517
128 5TDF ADP 3.71517
129 1M0W ANP 3.71517
130 2DBX GLU 3.71517
131 1W8S FBP 3.80228
132 4RYV ZEA 3.87097
133 4XZ3 ACP 3.87931
134 4XYM A12 3.87931
135 1I7L ATP 3.8835
136 3WG3 A2G GAL NAG FUC 3.93258
137 1AV5 AP2 3.96825
138 5AB1 BCD TA5 HP6 MAN 4
139 5L2R MLA 4.02477
140 4RDL FUC GAL NDG FUC 4.02477
141 4UWH JXM 4.02477
142 2PNC CLU 4.02477
143 1ELI PYC 4.02477
144 3JQ3 ADP 4.02477
145 3HEE R5P 4.02685
146 2PYW ADP 4.04762
147 2C3H GLC GLC 4.08163
148 1WOQ BGC 4.11985
149 2HJ4 PNZ 4.15512
150 3NZ1 3NY 4.21456
151 1UWC FER 4.21456
152 3G1Z AMP 4.29448
153 5W75 SUC 4.33437
154 5KJW 53C 4.33437
155 2Z48 NGA 4.33437
156 2Z49 AMG 4.33437
157 2Z48 A2G 4.33437
158 3HAV ATP 4.34783
159 4O08 PO6 4.36137
160 1CBK ROI 4.375
161 1MFI FHC 4.38596
162 1F5F DHT 4.39024
163 4P83 U5P 4.3956
164 3PN1 IVH 4.40252
165 2ZL7 FUC GAL NGA 4.40678
166 5A96 GTP 4.41767
167 1GSA ADP 4.43038
168 3EW2 BTN 4.44444
169 6HDT BTN 4.51128
170 1M3U KPL 4.54545
171 4Y24 TD2 4.54545
172 3TDV GDP 4.57516
173 5I35 ANP 4.64396
174 5XLY C2E 4.64396
175 4K55 H6P 4.64396
176 2VT3 ATP 4.64396
177 2GTF P1R 4.95356
178 4OAV ACP 4.95356
179 4WOE ADP 4.95356
180 5AE9 OKO 4.95356
181 3DNT ATP 4.95356
182 2R5V HHH 4.95356
183 1GPM AMP 4.95356
184 1GPM CIT 4.95356
185 1TQP ATP 4.96454
186 1HXD BTN 4.98442
187 4K79 GAL A2G 5
188 1KDK DHT 5.08475
189 4FE2 AIR 5.09804
190 4FE2 ADP 5.09804
191 4LI4 AMP 5.14706
192 4Z28 BTN 5.22388
193 6FL8 ADP 5.26316
194 6FL8 TIY 5.26316
195 3UDZ ADP 5.26316
196 4NS0 PIO 5.26316
197 3OF1 CMP 5.26316
198 5COU ATP 5.26316
199 1KHT AMP 5.26316
200 2BMB PMM 5.26316
201 5FYR INS 5.26316
202 5KJZ PCG 5.33333
203 4HZO COA 5.34591
204 5OLK DTP 5.34884
205 4LH7 1X8 5.57276
206 3GD9 GLC BGC BGC BGC 5.57276
207 1EHI ADP 5.57276
208 3FSY SCA 5.57276
209 1QKQ MAN 5.6338
210 5K2M ADP 5.66038
211 5OCG 9R5 5.82011
212 5VM6 9EG 5.83942
213 2IF8 ADP 5.88235
214 5IM3 DTP 5.88235
215 2QK4 ATP 5.88235
216 4PU5 ANP 5.88235
217 2HFU MEV 5.88235
218 4TQK NAG 5.88235
219 3REU ATP 5.88235
220 2AQX ATP 5.88235
221 2GQS C2R 5.90717
222 2GQR ADP 5.90717
223 2GQS ADP 5.90717
224 2YY8 MTA 5.97015
225 1OS7 AKG 6.00707
226 2W5P CL8 6.04027
227 3PAK MAN 6.08108
228 4GGZ BTN 6.08696
229 4JNJ BTN 6.08696
230 3TTN SPD 6.19195
231 5C4L 4XR 6.23053
232 3H0L ADP 6.38298
233 3ZO7 K6H 6.38298
234 3IWD M2T 6.45161
235 3TII ANP 6.50155
236 2YBP 2HG 6.50155
237 3NNF AKG 6.50155
238 4AZW ATP 6.50155
239 1CZA G6P 6.50155
240 5OCQ CIT 6.66667
241 5VZ0 ADP 6.81115
242 1NX4 AKG 6.81115
243 3KMT SAH 6.81115
244 2BKK ADP 6.81818
245 3KDM TES 6.88073
246 5DKK FMN 6.89655
247 5H9P TD2 6.96203
248 4Y4V DAL 7.12074
249 4YRI 4JH 7.12074
250 3DGY 2GP 7.2165
251 2UV4 AMP 7.23684
252 3ETH ATP 7.43034
253 1RL4 BRR 7.44681
254 1IA9 ANP 7.5
255 2CDO GAL AAL GAL AAL GAL AAL 7.5
256 2P7Q GG6 7.5188
257 3TA2 AKG 7.62712
258 6E2B PT7 7.73994
259 5TCI 79V 7.73994
260 3KYF 5GP 5GP 7.79221
261 3OCP CMP 7.91367
262 1WAP TRP 8
263 4RT1 C2E 8.03571
264 1QAW TRP 8.10811
265 2V58 LZJ 8.35913
266 5WXK TYD 8.57143
267 2TPI ILE VAL 8.62069
268 1E4E ADP 8.66873
269 4OJ8 AKG 8.66873
270 3A3B FMN 8.66873
271 3A3B RBF 8.66873
272 4BJ8 BTN 8.73016
273 5EJL C2E 8.87097
274 5MLJ 9ST 8.92857
275 3BP1 GUN 8.96552
276 2XZ9 PYR 8.97833
277 4GLW 0XT 9.18033
278 4WW7 AMP 9.1954
279 3ZZS TRP 9.23077
280 3CM2 X23 9.23077
281 3QSB 743 9.28793
282 1GT4 UNA 9.43396
283 1RDS GPC 9.52381
284 5CKW ANP 9.59752
285 1OPB RET 9.70149
286 2PUL ACP 9.90712
287 4MOB ADP 9.90712
288 1UA4 AMP 10.2167
289 1D4D SIN 10.2167
290 2PHN GDP 10.2362
291 4ZGP ADP 10.2389
292 5KBF CMP 10.299
293 5Y4R C2E 10.3448
294 5T8U LPA 10.5263
295 4GN8 ASO 10.5263
296 4M3P HCS 10.5263
297 2Z3U CRR 10.8359
298 4B1L FRU 10.9091
299 2AGC DAO 11.1111
300 5DXT 5H5 11.1455
301 5FI4 5XV 11.1455
302 4CCN OGA 11.4286
303 4Y3O OGA 11.4551
304 5HWV MBN 11.5385
305 2P3V SRT 11.7188
306 4RF7 ARG 11.7647
307 5G48 1FL 11.7647
308 1ONI BEZ 12.3188
309 1P6O HPY 12.4224
310 5CIC 51R 14.8148
311 1JOT GAL A2G 15.0376
312 1KUJ MMA 15.0376
313 1JAC AMG 15.0376
314 1WS4 GYP 15.0376
315 1WS5 MMA 15.0376
316 3ZJX BOG 15.2249
317 6FYV 3NG 15.4799
318 4AUA 4AU 15.6352
319 4LO2 GAL BGC 15.6463
320 5Y86 HRM 16.3265
321 4W9F 3JU 16.3462
322 4BKS X6C 16.3462
323 1S9D AFB 18.2927
324 2ZSC BTN 18.4397
325 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 18.5185
326 5GZ9 ANP 19.0164
327 4O1P ANP 19.195
328 3VPB ADP 19.6429
329 5MY8 RXZ 20.1238
330 2H88 TEO 21.4286
331 4IX4 ADP 22.6006
332 3OKA GDD 23.8095
333 3VHE 42Q 23.839
334 5LI9 ACP 23.839
335 5LI1 ANP 25
336 4KBA 1QM 25.387
337 3LQV ADE 25.641
338 5OKT 9XK 26.1146
339 6FYL 3NG 26.3158
340 4XH0 ADP 26.6254
341 3TXO 07U 27.2446
342 4PNI KQQ 27.2446
343 4L9I 8PR 27.2446
344 4WB6 ATP 27.8638
345 2QCS ANP 27.8638
346 4WB7 ATP 27.8638
347 4OTH DRN 27.8638
348 2F2U M77 27.8638
349 2GU8 796 28.1734
350 3FHI ANP 28.1734
351 1RE8 BD2 28.1734
352 6C0T EE4 28.1734
353 3IDB ANP 28.1734
354 4AU8 Z3R 28.3784
355 2B9H ADP 28.483
356 2B9F ADP 28.483
357 2B9I ADP 28.483
358 2B9J ADP 28.483
359 4CRL C1I 28.483
360 3O0G 3O0 28.7671
361 1UNH IXM 28.7671
362 5X8I SQZ 28.7926
363 6ES0 BW8 29.0221
364 2ZV2 609 29.1946
365 3ALN ANP 29.4118
366 5T8O 76Z 29.4118
367 4IDT T28 29.4118
368 6G33 5ID 29.4118
369 3GC8 B45 29.4118
370 3HMO STU 29.4118
371 3GC0 AMP 29.4118
372 5UKL SIX 29.7214
373 4YZC STU 29.7214
374 6A1G 9OL 29.7214
375 3PVW QRX 29.7214
376 1XJD STU 29.7214
377 5VC5 96M 29.7578
378 3LXN MI1 29.8742
379 4H3Q ANP 30.031
380 4QTB 38Z 30.031
381 4H3P ANP 30.031
382 5BVE 4VG 30.3406
383 4FL3 ANP 30.3406
384 3PP0 03Q 30.3406
385 1PHK ATP 30.3406
386 3HZT J60 30.3406
387 2WEL K88 30.3406
388 5HCY 60D 30.6502
389 4UX9 ANP 30.6502
390 4FF8 14S 30.6502
391 2JLD AG1 30.9598
392 1O9U ADZ 30.9598
393 4NM5 ADP 30.9598
394 3ZRM ZRM 30.9598
395 4Y85 499 30.9598
396 2CSN CKI 30.9764
397 3F7Z 34O 31.2694
398 5EKO N17 31.2694
399 4GJ3 0XP 31.457
400 4WNK 453 31.5789
401 4IZY 1J2 31.5789
402 5N87 N66 31.9489
403 4I6H 1C8 32.1429
404 4NST ADP 32.1981
405 2VN9 GVD 32.2259
406 4FG8 ATP 32.5077
407 1CM8 ANP 32.5077
408 3H9R TAK 32.5077
409 2BPM 529 32.6861
410 4Q5H ANP 32.7586
411 5EFQ ADP 32.8173
412 1IR3 ANP 33.0065
413 3E8N ATP 33.1269
414 3E8N VRA 33.1269
415 3E7O 35F 33.1269
416 4LOO SB4 33.1269
417 3NW7 LGV 33.2248
418 3FC2 IBI 33.4365
419 5WO4 B7V 33.4437
420 4CFU 2WC 33.6634
421 5CEO 50D 33.6667
422 6GUE FB8 33.7748
423 4BCQ TJF 33.887
424 4BCM T7Z 33.887
425 2XMY CDK 33.8926
426 6E2O S0L 33.8983
427 5KO1 6UY 33.9223
428 4BCN T9N 34
429 3IGO ANP 34.0557
430 5LMK 6ZK 34.3434
431 2Y6O 1N1 34.3643
432 2WU6 DKI 34.3653
433 1U5R ATP 34.3653
434 5ZTN CUR 34.3653
435 1K3A ACP 34.4482
436 5HQ0 LZ9 34.6749
437 6GU6 1QK 34.6749
438 5AWM ANP 34.6749
439 3LXK MI1 34.8624
440 6GIN IR2 34.8837
441 3BZ3 YAM 35.1449
442 3SLS ANP 35.1974
443 5EH0 5NW 35.2713
444 5TA6 79D 35.2941
445 6C7Y ADP 35.3147
446 2QLU ADE 35.6037
447 1ZY5 ANP 35.6037
448 1V0O INR 35.7639
449 4Y93 746 35.9133
450 5TO8 7FM 36.2229
451 3SRV S19 36.8231
452 4ASE AV9 36.8421
453 4AG8 AXI 37.0253
454 3GNI ATP 37.1517
455 1OUK 084 37.1517
456 4BHN BH9 37.1517
457 2V7O DRN 37.1517
458 4F4P 0SB 37.3626
459 4CLI 5P8 37.4613
460 5EOB 5QQ 37.4613
461 4BTK DTQ 37.4613
462 3PTG 932 37.4613
463 2G30 ALA ALA PHE 37.5
464 2PVF ACP 37.7709
465 5HES 032 37.7709
466 3KMW ATP 37.7709
467 4RFM 3P6 38.0805
468 3EKK GS2 38.0805
469 3TTI KBI 38.0805
470 4ONA UW1 38.0805
471 2WEI VGG 38.3275
472 4QMN DB8 38.3901
473 3BU5 ATP 38.3901
474 5QIN J2V 38.3901
475 6GQM F8H 38.3901
476 2A19 ANP 38.3901
477 6CMJ F6J 38.6293
478 4WHZ 3NL 38.6997
479 3RI1 3RH 38.6997
480 5USZ SKE 38.7543
481 1VJY 460 39.0093
482 5WNL STU 39.0093
483 3GQI ACP 39.0093
484 3PLS ANP 39.0093
485 4YMJ 4EJ 39.3189
486 4U0I 0LI 39.3651
487 5JGA 6KC 39.6285
488 4P5Z Q7M 39.6285
489 5DBX ANP 39.6285
490 5H2U 1N1 39.7004
491 1JPA ANP 39.9381
492 4E93 GUI 39.9381
493 4E1Z 0MX 39.9381
494 5JFS 6K0 39.9381
495 4DC2 ADE 39.9381
496 5U6C 7YS 40
497 6CZ3 FLJ 40.1515
498 5UR1 YY9 40.1929
499 4K33 ACP 40.2477
500 2XVD AS6 40.5573
501 5MJA 7O3 40.5573
502 4CSV STI 40.8669
503 3VRY B43 41.1765
504 3KRL KRL 41.1765
505 2F57 23D 41.1765
506 2X2M X2M 41.4013
507 2OO8 RAJ 41.6404
508 2OFV 242 41.7957
509 1Y57 MPZ 42.1053
510 5JKG 6LF 42.1222
511 5NKB 8ZT 42.1569
512 1U59 STU 42.1603
513 4WOV 3SM 42.2713
514 2H8H H8H 42.7245
515 5C03 AGS 42.7245
516 4AT3 LTI 42.8094
517 5FBN 5WF 43.1734
518 1OPK P16 43.3437
519 6GWR FEW 43.4921
520 1BYG STU 43.5252
521 4EWH T77 43.6364
522 2VZ6 FEF 43.6533
523 3C1X CKK 43.6533
524 3SXS PP2 45.5224
525 4UXL 5P8 45.8204
526 3G5D 1N1 47.2028
527 4TWP AXI 47.9705
528 2HK5 1BM 48.8889
Pocket No.: 2; Query (leader) PDB : 5UIU; Ligand: 8CG; Similar sites found with APoc: 113
This union binding pocket(no: 2) in the query (biounit: 5uiu.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 2UZ2 BTN None
2 4XFR CIT 1.63934
3 6G9I CXX 1.85759
4 4EKV BTN 1.88679
5 5F6U 5VK 1.91083
6 4RDH AMP 2.08333
7 4RDI ATP 2.08333
8 3TY5 ATP 2.16718
9 2HK9 ATR 2.18182
10 4UDK BMA 2.47678
11 3L9W AMP 2.47678
12 4FAI PBD 2.47678
13 1BW9 NAD 2.47678
14 1EXF GLY 2.47934
15 1MJT ITU 2.59366
16 1NXJ TLA 2.73224
17 5HV7 RBL 2.78638
18 3S5W ONH 2.78638
19 6D50 GCB 2.78638
20 5LUN OGA 2.78638
21 2IVD ACJ 2.92887
22 2QHS OCA 2.95359
23 4QYN RTL 3.00752
24 6EW3 S3C 3.01724
25 3A16 PXO 3.09598
26 2QHV OC9 3.33333
27 1U1W 3HA 3.3557
28 5EHS 2JJ 3.35821
29 5EHS 5OY 3.35821
30 1T36 ADP 3.40557
31 3E7S AT2 3.40557
32 2GEK GDP 3.40557
33 6F92 MVL 3.40557
34 1UI0 URA 3.41463
35 1QY1 PRZ 3.44828
36 6E8I PTR 3.5503
37 4BWL MN9 3.61842
38 3KV4 OGA 3.71517
39 1WBI BTN 3.71517
40 2GC0 PAN 3.7234
41 1FWV SGA MAG FUC 3.73134
42 5D63 FUC GLA GLA 3.75427
43 2J9L ATP 3.78378
44 1A99 PUT 4.02477
45 5EW0 3C7 4.02477
46 3W0O ADP 4.02477
47 3W0O HY0 4.02477
48 5T9C G3P 4.10448
49 4JGP PYR 4.14747
50 1JG3 ADN 4.25532
51 5OF1 SAL 4.28571
52 4KVL PLM 4.33437
53 4QDC ASD 4.33437
54 4K6B GLU 4.34783
55 5ZZO FLC 4.47761
56 4WA2 SIA GAL NAG 4.64396
57 1KYQ NAD 4.74453
58 1SDW IYT 4.77707
59 3T4L ZEA 4.81482
60 6D5X 3PO 5.10204
61 5KZD RCJ 5.11945
62 1VBH PEP 5.26316
63 3WUR O4B 5.26316
64 5ZI9 FLC 5.26316
65 1SWG BTN 5.46875
66 4M26 AKG 5.57276
67 4NOS ITU 5.57276
68 2I6U CP 5.57276
69 3NOJ PYR 5.88235
70 3N1S 5GP 5.88235
71 3UW5 MAA CHG PRO 0DQ 6.03448
72 1SQL GUN 6.16438
73 2UYN 2KT 6.20155
74 5C4L SIS 6.23053
75 4R38 RBF 6.42857
76 2RHQ GAX 6.81115
77 3TM0 ANP 6.84411
78 3TM0 B31 6.84411
79 2GVV DI9 7.00637
80 4OYA 1VE 7.43034
81 5JDA AMP 7.43034
82 5NM7 GLY 7.5188
83 5C8W PCG 7.69231
84 2BO4 FLC 7.73994
85 3T2W BTN 8.19672
86 4J25 OGA 8.29694
87 1FHX 4IP 8.52713
88 1FHW I5P 8.52713
89 1T66 FLU 8.6758
90 3ZZQ TRP 9.23077
91 1HE1 AF3 9.28793
92 3GD8 GOL 9.86547
93 1Y7P RIP 9.86547
94 2C1Q BTN 10.3175
95 2OJW ADP 10.5263
96 5A04 BGC 11.1455
97 3QH2 3NM 11.3122
98 4XMF HSM 11.413
99 5LXT ACP 11.7647
100 1U29 I3P 12.4031
101 4CSD MFU 12.5
102 1FAO 4IP 13.4921
103 4O4F ATP 13.7097
104 4O4F IHP 13.7097
105 2YVJ NAI 13.7615
106 2X3J ATP 14.2415
107 5SVV FMN 15.3285
108 4B9K TG0 16.3462
109 4D79 ATP 16.7183
110 3W9K MYR 17.2662
111 5VNB ALA THR ALY ALA ALA ARG ALY SER ALA PRO 19.5946
112 1GXS DKA 20.8861
113 4NST AF3 32.1981
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