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
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 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 2OID - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 4ZTN ic50 = 19 nM 4S3 C20 H24 N6 O2 S c1ccc2c(c1....
7 2NRY - STU C28 H26 N4 O3 C[C@@]12[C....
8 4ZTL ic50 = 1.2 uM 4S1 C20 H25 N5 O3 S CCCNc1ncc(....
9 4Y73 ic50 = 0.3 nM XPY C18 H21 F3 N8 O Cn1cc(c(n1....
10 2OIC ic50 = 4 nM STU C28 H26 N4 O3 C[C@@]12[C....
11 5UIS ic50 = 146 nM 8C1 C18 H23 N3 O3 CC(C)Oc1cc....
12 5UIT ic50 = 4.6 nM 8CD C18 H21 N3 O4 CC(C)Oc1cc....
13 5UIU ic50 = 0.2 nM 8CG C18 H20 F N3 O4 CC[C@H]1[C....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 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 2OID - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 4ZTN ic50 = 19 nM 4S3 C20 H24 N6 O2 S c1ccc2c(c1....
7 2NRY - STU C28 H26 N4 O3 C[C@@]12[C....
8 4ZTL ic50 = 1.2 uM 4S1 C20 H25 N5 O3 S CCCNc1ncc(....
9 4Y73 ic50 = 0.3 nM XPY C18 H21 F3 N8 O Cn1cc(c(n1....
10 2OIC ic50 = 4 nM STU C28 H26 N4 O3 C[C@@]12[C....
11 5UIS ic50 = 146 nM 8C1 C18 H23 N3 O3 CC(C)Oc1cc....
12 5UIT ic50 = 4.6 nM 8CD C18 H21 N3 O4 CC(C)Oc1cc....
13 5UIU ic50 = 0.2 nM 8CG C18 H20 F N3 O4 CC[C@H]1[C....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 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 2OID - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 4ZTN ic50 = 19 nM 4S3 C20 H24 N6 O2 S c1ccc2c(c1....
7 2NRY - STU C28 H26 N4 O3 C[C@@]12[C....
8 4ZTL ic50 = 1.2 uM 4S1 C20 H25 N5 O3 S CCCNc1ncc(....
9 4Y73 ic50 = 0.3 nM XPY C18 H21 F3 N8 O Cn1cc(c(n1....
10 2OIC ic50 = 4 nM STU C28 H26 N4 O3 C[C@@]12[C....
11 5UIS ic50 = 146 nM 8C1 C18 H23 N3 O3 CC(C)Oc1cc....
12 5UIT ic50 = 4.6 nM 8CD C18 H21 N3 O4 CC(C)Oc1cc....
13 5UIU ic50 = 0.2 nM 8CG C18 H20 F N3 O4 CC[C@H]1[C....
14 3UIM - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
15 5LPZ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 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: 391
This union binding pocket(no: 1) in the query (biounit: 5uiu.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PVS 7HP 0.03909 0.40832 1.06383
2 4U98 ACP 0.002981 0.43895 1.54799
3 3NEM ATP 0.01939 0.4113 1.54799
4 3A6T 8OG 0.01923 0.40082 1.55039
5 4CC6 L5Y 0.002055 0.46568 1.57233
6 2WW4 ADP 0.02739 0.4001 1.76678
7 5MRH Q9Z 0.0001908 0.51883 1.85759
8 2VPQ ANP 0.0005677 0.45132 1.85759
9 4N9Z V3L 0.02377 0.43137 1.85759
10 3HQP OXL 0.02059 0.41869 1.85759
11 2Z9I GLY ALA THR VAL 0.01872 0.41453 1.85759
12 4WCX MET 0.01214 0.41272 1.85759
13 4CCK OGA 0.0359 0.40389 1.85759
14 3SAO DBH 0.0112 0.43584 1.875
15 4V03 ADP 0.01168 0.41463 1.94553
16 4RW3 IPD 0.03768 0.40024 1.98676
17 3VPC ADP 0.0006298 0.45328 2.12766
18 1PK8 ATP 0.001757 0.42392 2.1327
19 4CYI ATP 0.00001887 0.52445 2.16718
20 3X01 AMP 0.003256 0.46215 2.16718
21 3AVS OGA 0.00397 0.45094 2.16718
22 2RIF AMP 0.01689 0.4069 2.16718
23 3K5I ADP 0.008937 0.40647 2.16718
24 2ALG DAO 0.03567 0.40645 2.17391
25 5EY0 GTP 0.0282 0.40303 2.18978
26 1ZTH ADP 0.000001141 0.62399 2.32558
27 1ZP9 ATP 0.000005639 0.57376 2.32558
28 4GYI ADP 0.00004029 0.53934 2.47678
29 4OCV ANP 0.0002049 0.48348 2.47678
30 5DZT AMP 0.01104 0.4337 2.47678
31 2I4O ATP 0.009082 0.42796 2.47678
32 3B6R ADP 0.006536 0.42293 2.47678
33 1F52 ADP 0.01099 0.41972 2.47678
34 3S6X SIA GAL BGC 0.02549 0.41334 2.47678
35 2YKL NLD 0.02066 0.40618 2.47678
36 3T1A 5MA 0.01397 0.40089 2.47678
37 4DFU QUE 0.004633 0.45259 2.48447
38 1TZD ADP 0.005266 0.44644 2.54545
39 4R78 AMP 0.00002077 0.56842 2.589
40 4ZS4 ATP 0.00004542 0.5129 2.60586
41 1W2D ADP 0.002614 0.4552 2.64151
42 1OIJ AKG 0.03854 0.40098 2.65781
43 2AJ4 GLA 0.01039 0.434 2.73723
44 2PHX MAN MAN 0.04289 0.40192 2.77778
45 5MW8 ATP 0.000009107 0.52739 2.78638
46 2VQD AP2 0.0003571 0.46818 2.78638
47 3VOT ADP 0.00393 0.44629 2.78638
48 2Q8E OGA 0.01034 0.43562 2.78638
49 4BTV RB3 0.01855 0.42431 2.78638
50 1U6R ADP 0.01065 0.40951 2.78638
51 3B99 U51 0.02113 0.40569 2.78638
52 3SZB I1E 0.03011 0.40517 2.78638
53 3PDT ADP 0.00004097 0.53247 2.90909
54 5CPR 539 0.02024 0.41433 2.98507
55 4INI AMP 0.005568 0.43012 3.07692
56 3KYG 5GP 5GP 0.01333 0.40181 3.0837
57 3ORQ ADP 0.001006 0.44836 3.09598
58 2GOO NDG 0.007576 0.43237 3.09598
59 2IO8 ADP 0.002335 0.42201 3.09598
60 3V4S ATP 0.004167 0.41778 3.09598
61 1OBD ATP 0.01676 0.41068 3.09598
62 1VRP ADP 0.01787 0.40571 3.09598
63 2YW2 ATP 0.01106 0.40237 3.09598
64 2YRX AMP 0.03142 0.40753 3.10421
65 5AEW BNL 0.007429 0.43236 3.19149
66 5DYO FLU 0.002377 0.47036 3.21101
67 4OUJ LBT 0.0177 0.43096 3.25733
68 1I06 TZL 0.02289 0.41574 3.33333
69 2XG5 EC5 0.004607 0.44334 3.40557
70 2XG5 EC2 0.004607 0.44334 3.40557
71 1WNB BTL 0.01202 0.41944 3.40557
72 5KY9 GDP 0.01636 0.40757 3.40557
73 4XBT 3ZQ 0.02253 0.40431 3.40557
74 3CBC DBS 0.02216 0.41743 3.53535
75 5IQD RIO 0.001096 0.42935 3.60656
76 5IQD GNP 0.001019 0.42935 3.60656
77 3BF1 PAU 0.01586 0.41187 3.61446
78 3I0O ADP 0.0004725 0.49254 3.71517
79 3WVR AMP 0.0006245 0.47574 3.71517
80 5C1P ADP 0.002476 0.45157 3.71517
81 1YFS ALA 0.01761 0.43577 3.71517
82 5TDF ADP 0.004674 0.41892 3.71517
83 2DBX GLU 0.04833 0.4005 3.71517
84 4RYV ZEA 0.009998 0.42586 3.87097
85 4XYM A12 0.008302 0.41111 3.87931
86 1I7L ATP 0.002945 0.41781 3.8835
87 3WG3 A2G GAL NAG FUC 0.01582 0.4199 3.93258
88 1AV5 AP2 0.02386 0.40308 3.96825
89 5AB1 BCD TA5 HP6 MAN 0.03891 0.40219 4
90 4RDL FUC GAL NDG FUC 0.01299 0.43149 4.02477
91 4UWH JXM 0.01548 0.40873 4.02477
92 2PNC CLU 0.03886 0.40574 4.02477
93 2PYW ADP 0.00007954 0.49692 4.04762
94 2C3H GLC GLC 0.01949 0.41441 4.08163
95 1WOQ BGC 0.01659 0.41473 4.11985
96 3NZ1 3NY 0.002097 0.47164 4.21456
97 1UWC FER 0.01992 0.40696 4.21456
98 3G1Z AMP 0.02342 0.40714 4.29448
99 5KJW 53C 0.005268 0.45725 4.33437
100 2Z48 NGA 0.009977 0.41751 4.33437
101 2Z49 AMG 0.03361 0.415 4.33437
102 2Z48 A2G 0.02712 0.40311 4.33437
103 3HAV ATP 0.0004992 0.506 4.34783
104 4O08 PO6 0.04213 0.40167 4.36137
105 1CBK ROI 0.01866 0.42281 4.375
106 2ZL7 FUC GAL NGA 0.00708 0.44557 4.40678
107 1ZN7 HSX 0.02098 0.40957 4.44444
108 1ZN7 ADE 0.02098 0.40957 4.44444
109 3EW2 BTN 0.02204 0.40848 4.44444
110 1M3U KPL 0.03265 0.40351 4.54545
111 3TDV GDP 0.000008583 0.55164 4.57516
112 5I35 ANP 0.00002141 0.53954 4.64396
113 5XLY C2E 0.006241 0.4202 4.64396
114 4K55 H6P 0.03006 0.4119 4.64396
115 4OAV ACP 0.000001032 0.6013 4.95356
116 4WOE ADP 0.0206 0.42107 4.95356
117 3DNT ATP 0.00293 0.4179 4.95356
118 2R5V HHH 0.0139 0.41469 4.95356
119 5NCY 8TK 0.002362 0.40726 4.95356
120 1GPM CIT 0.04437 0.40071 4.95356
121 1TQP ATP 0.0002627 0.4615 4.96454
122 1HXD BTN 0.006595 0.41909 4.98442
123 4K79 GAL A2G 0.03943 0.40307 5
124 4FE2 AIR 0.00273 0.45425 5.09804
125 4FE2 ADP 0.02463 0.40239 5.09804
126 4LI4 AMP 0.00146 0.47334 5.14706
127 4Z28 BTN 0.02716 0.40387 5.22388
128 3UDZ ADP 0.000008654 0.54528 5.26316
129 4NS0 PIO 0.006388 0.44272 5.26316
130 5FYR INS 0.02984 0.40425 5.26316
131 5KJZ PCG 0.01961 0.40041 5.33333
132 4LH7 1X8 0.001881 0.47352 5.57276
133 3GD9 GLC BGC BGC BGC 0.01005 0.42164 5.57276
134 1EHI ADP 0.005333 0.41978 5.57276
135 1QKQ MAN 0.006549 0.41354 5.6338
136 5K2M ADP 0.0009641 0.438 5.66038
137 5H4I 7HQ 0.01308 0.4191 5.66038
138 2IF8 ADP 0.00118 0.484 5.88235
139 4PU5 ANP 0.001654 0.43163 5.88235
140 2HFU MEV 0.01445 0.42798 5.88235
141 3REU ATP 0.01353 0.4047 5.88235
142 2GQS C2R 0.001249 0.4613 5.90717
143 2GQR ADP 0.01243 0.40977 5.90717
144 2YY8 MTA 0.01428 0.41412 5.97015
145 2W5P CL8 0.004704 0.45948 6.04027
146 4GGZ BTN 0.02063 0.40621 6.08696
147 3TTN SPD 0.04656 0.40129 6.19195
148 5C4L 4XR 0.0009578 0.42367 6.23053
149 3H0L ADP 0.009023 0.4281 6.38298
150 3IWD M2T 0.04488 0.4062 6.45161
151 3TII ANP 0.00481 0.44188 6.50155
152 2YBP 2HG 0.009998 0.4365 6.50155
153 4AZT LY2 0.008446 0.42955 6.50155
154 4AZW ATP 0.009521 0.40525 6.50155
155 5VZ0 ADP 0.0003589 0.4821 6.81115
156 3KMT SAH 0.01807 0.40548 6.81115
157 2BKK ADP 0.003799 0.44244 6.81818
158 3KDM TES 0.03947 0.4035 6.88073
159 5DKK FMN 0.01099 0.4025 6.89655
160 5H9P TD2 0.03674 0.40472 6.96203
161 4Y4V DAL 0.01904 0.41871 7.12074
162 3DGY 2GP 0.04248 0.40092 7.2165
163 3ETH ATP 0.002606 0.42661 7.43034
164 1RL4 BRR 0.0328 0.4034 7.44681
165 1IA9 ANP 0.0003107 0.47535 7.5
166 2CDO GAL AAL GAL AAL GAL AAL 0.03392 0.40467 7.5
167 3OCP CMP 0.01132 0.42313 7.91367
168 1WAP TRP 0.01154 0.4113 8
169 4RT1 C2E 0.004378 0.43111 8.03571
170 1NCQ W11 0.009806 0.40784 8.47458
171 2TPI ILE VAL 0.0159 0.40145 8.62069
172 3A3B FMN 0.01847 0.4164 8.66873
173 3A3B RBF 0.02562 0.40901 8.66873
174 4BJ8 BTN 0.01072 0.41281 8.73016
175 3BP1 GUN 0.006141 0.44961 8.96552
176 2XZ9 PYR 0.02481 0.41446 8.97833
177 4GLW 0XT 0.01373 0.42309 9.18033
178 4WW7 AMP 0.00007874 0.4923 9.1954
179 3CM2 X23 0.04609 0.40082 9.23077
180 3QSB 743 0.01459 0.41756 9.28793
181 1GT4 UNA 0.003368 0.43647 9.43396
182 1RDS GPC 0.01694 0.40683 9.52381
183 5CKW ANP 0.0001986 0.51145 9.59752
184 1OPB RET 0.01495 0.40269 9.70149
185 2PUL ACP 0.00002094 0.53998 9.90712
186 1UA4 AMP 0.0212 0.40212 10.2167
187 1D4D SIN 0.04158 0.40183 10.2167
188 2PHN GDP 0.005699 0.40586 10.2362
189 4ZGP ADP 0.005871 0.42512 10.2389
190 5KBF CMP 0.01097 0.41595 10.299
191 5T8U LPA 0.004645 0.43815 10.5263
192 4B1L FRU 0.006947 0.43602 10.9091
193 5DXT 5H5 0.01062 0.40627 11.1455
194 5FI4 5XV 0.005926 0.40515 11.1455
195 4Y3O OGA 0.007112 0.44531 11.4551
196 5HWV MBN 0.007225 0.44237 11.5385
197 2P3V SRT 0.007054 0.44684 11.7188
198 5CIC 51R 0.04822 0.40233 14.8148
199 1WS4 GYP 0.04666 0.40385 15.0376
200 3ZJX BOG 0.003304 0.46249 15.2249
201 4AUA 4AU 0.000004742 0.57024 15.6352
202 4LO2 GAL BGC 0.007691 0.44198 15.6463
203 4W9F 3JU 0.03394 0.40658 16.3462
204 4BKS X6C 0.04422 0.40076 16.3462
205 1S9D AFB 0.02196 0.40856 18.2927
206 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.02103 0.4058 18.5185
207 5GZ9 ANP 0.00000001522 0.6451 19.0164
208 4O1P ANP 0.0000002659 0.62091 19.195
209 3VPB ADP 0.0008287 0.43726 19.6429
210 5MY8 RXZ 0.000001907 0.545 20.1238
211 4IX4 ADP 0.000073 0.43336 22.6006
212 3OKA GDD 0.02919 0.40227 23.8095
213 5LI9 ACP 0.00000005431 0.64431 23.839
214 3VHE 42Q 0.0000009735 0.53613 23.839
215 5LI1 ANP 0.000000003093 0.68266 25
216 4KBA 1QM 0.00001626 0.49798 25.387
217 3LQV ADE 0.01744 0.41543 25.641
218 4XH0 ADP 0.00001346 0.59082 26.6254
219 3TXO 07U 0.0000000807 0.6622 27.2446
220 4L9I 8PR 0.0000004157 0.61982 27.2446
221 4WB6 ATP 0.00000001944 0.6196 27.8638
222 4OTH DRN 0.00000009801 0.61781 27.8638
223 2QCS ANP 0.00000002397 0.61596 27.8638
224 4WB7 ATP 0.0000003847 0.51331 27.8638
225 3FHI ANP 0.00000002543 0.61493 28.1734
226 3IDB ANP 0.0000003852 0.58562 28.1734
227 1RE8 BD2 0.000000769 0.56412 28.1734
228 2GU8 796 0.0000000234 0.4673 28.1734
229 4AU8 Z3R 0.0000002637 0.65595 28.3784
230 2B9J ADP 0.000000006559 0.70434 28.483
231 2B9F ADP 0.000000005631 0.69777 28.483
232 2B9I ADP 0.000000007231 0.69279 28.483
233 2B9H ADP 0.000000004892 0.55733 28.483
234 4CRL C1I 0.000003087 0.49723 28.483
235 1UNH IXM 0.0000000179 0.70378 28.7671
236 3O0G 3O0 0.00000008572 0.50994 28.7671
237 5X8I SQZ 0.000000001611 0.72272 28.7926
238 2ZV2 609 0.00000001328 0.72114 29.1946
239 4IDT T28 0.000000008452 0.69917 29.4118
240 3ALN ANP 0.00000001143 0.66625 29.4118
241 5T8O 76Z 0.00000002005 0.6555 29.4118
242 3HMO STU 0.000001833 0.5896 29.4118
243 3GC0 AMP 0.00002947 0.546 29.4118
244 3GC8 B45 0.00000753 0.53634 29.4118
245 4YLL 4E3 0.000000002529 0.67813 29.7214
246 1XJD STU 0.0000001175 0.62924 29.7214
247 3PVW QRX 0.000001189 0.54796 29.7214
248 5UKL SIX 0.0000004083 0.54022 29.7214
249 4YZC STU 0.0000007266 0.50234 29.7214
250 5VC5 96M 0.000000006216 0.63264 29.7578
251 3LXN MI1 0.000000001387 0.70663 29.8742
252 4H3P ANP 0.00000001791 0.6747 30.031
253 4H3Q ANP 0.00000001042 0.65208 30.031
254 4QTB 38Z 0.0000001181 0.57654 30.031
255 1PHK ATP 0.00000001126 0.67503 30.3406
256 4FL3 ANP 0.000000007179 0.66686 30.3406
257 2WEL K88 0.000002304 0.63295 30.3406
258 3PP0 03Q 0.00000004134 0.60646 30.3406
259 3HZT J60 0.00001659 0.5656 30.3406
260 5BVE 4VG 0.0000002012 0.42608 30.3406
261 4UX9 ANP 0.000000001594 0.70396 30.6502
262 4FF8 14S 0.00000003514 0.69991 30.6502
263 5BYZ 4WE 0.0000003244 0.54641 30.6502
264 5HCY 60D 0.00000004284 0.50595 30.6502
265 4Y85 499 0.000002243 0.58549 30.9598
266 3ZRM ZRM 0.000007087 0.55546 30.9598
267 4NM5 ADP 0.000005187 0.53776 30.9598
268 2JLD AG1 0.0000005314 0.52517 30.9598
269 3F7Z 34O 0.000001663 0.58436 31.2694
270 5EKO N17 0.0004084 0.45738 31.2694
271 4GJ3 0XP 0.00000007891 0.56908 31.457
272 4IZY 1J2 0.0000003975 0.59833 31.5789
273 4WNK 453 0.0000001367 0.56859 31.5789
274 5N87 N66 0.0000002276 0.52331 31.9489
275 4I6H 1C8 0.000008959 0.55078 32.1429
276 4NST ADP 0.00000009604 0.64122 32.1981
277 2VN9 GVD 0.00000001161 0.73584 32.2259
278 3H9R TAK 0.00000005426 0.70137 32.5077
279 1CM8 ANP 0.000000249 0.63026 32.5077
280 4FG8 ATP 0.0000001034 0.62411 32.5077
281 2BPM 529 0.0000002904 0.46231 32.6861
282 4Q5H ANP 0.00001278 0.54369 32.7586
283 5EFQ ADP 0.00000007895 0.64513 32.8173
284 4LOO SB4 0.00003065 0.52626 33.1269
285 3E8N ATP 0.000000009633 0.51282 33.1269
286 3E8N VRA 0.000000009633 0.51282 33.1269
287 3E7O 35F 0.00003535 0.46522 33.1269
288 3NW7 LGV 0.000003731 0.44105 33.2248
289 5HX8 66P 0.000000009646 0.63181 33.4437
290 4CFU 2WC 0.0000000464 0.67373 33.6634
291 5CEO 50D 0.00000004669 0.51534 33.6667
292 4BCM T7Z 0.0000002633 0.67684 33.887
293 4BCQ TJF 0.0000008087 0.6315 33.887
294 2XMY CDK 0.0000002067 0.41875 33.8926
295 5KO1 6UY 0.00000004114 0.66694 33.9223
296 4BCN T9N 0.00000007701 0.67269 34
297 3IGO ANP 0.0000007124 0.58059 34.0557
298 5LMK 6ZK 0.0000006246 0.61959 34.3434
299 2Y6O 1N1 0.0000001859 0.6058 34.3643
300 1U5R ATP 0.00000000432 0.70306 34.3653
301 2WU6 DKI 0.000000004691 0.66676 34.3653
302 5LXC 7AA 0.00000001229 0.51745 34.3653
303 1K3A ACP 0.000002488 0.59866 34.4482
304 4D2S DYK 0.000002178 0.6015 34.507
305 5HQ0 LZ9 0.00000000223 0.69753 34.6749
306 5AWM ANP 0.00000004521 0.69441 34.6749
307 3LXK MI1 0.000000001702 0.6548 34.8624
308 3BZ3 YAM 0.000007979 0.40996 35.1449
309 3SLS ANP 0.000000000128 0.74243 35.1974
310 3SLS 77D 0.009896 0.4181 35.1974
311 5TA6 79D 0.000002582 0.52946 35.2941
312 2QLU ADE 0.0000001771 0.69307 35.6037
313 1ZY5 ANP 0.000008041 0.55948 35.6037
314 1V0O INR 0.000000003589 0.69737 35.7639
315 4Y93 746 0.000000269 0.57973 35.9133
316 5TO8 7FM 0.000009379 0.45475 36.2229
317 3SRV S19 0.000000002787 0.72177 36.8231
318 4ASE AV9 0.000002945 0.52721 36.8421
319 5UOX 8GY 0.00000002993 0.64007 36.9004
320 4AG8 AXI 0.000005082 0.47814 37.0253
321 2V7O DRN 0.0000002659 0.66584 37.1517
322 4BHN BH9 0.00000001978 0.65576 37.1517
323 3GNI ATP 0.00000003738 0.64358 37.1517
324 4F4P 0SB 0.0000003246 0.42981 37.3626
325 4CLI 5P8 0.0000001797 0.58645 37.4613
326 5EOB 5QQ 0.0000008633 0.57134 37.4613
327 4BTK DTQ 0.000111 0.41899 37.4613
328 3PTG 932 0.000005554 0.41503 37.4613
329 2G30 ALA ALA PHE 0.000789 0.40627 37.5
330 2PVF ACP 0.000000009059 0.69776 37.7709
331 3KMW ATP 0.000005927 0.56569 37.7709
332 5HES 032 0.0000009235 0.49721 37.7709
333 3TTI KBI 0.0000001694 0.57608 38.0805
334 3EKK GS2 0.0000002307 0.51823 38.0805
335 3SXF BK5 0.000003329 0.4892 38.0805
336 4RFM 3P6 0.0000002014 0.46782 38.0805
337 2WEI VGG 0.000005598 0.57392 38.3275
338 3BU5 ATP 0.0000000374 0.66002 38.3901
339 2A19 ANP 0.000004762 0.59283 38.3901
340 4QMN DB8 0.0000003304 0.51872 38.3901
341 3RI1 3RH 0.0000004352 0.56546 38.6997
342 4WHZ 3NL 0.000001619 0.44231 38.6997
343 5USZ SKE 0.0000001071 0.58392 38.7543
344 3KRR DQX 0.00000002548 0.44244 38.9831
345 3GQI ACP 0.000000007587 0.69183 39.0093
346 3PLS ANP 0.00000002194 0.67974 39.0093
347 1VJY 460 0.000000007468 0.5975 39.0093
348 4YMJ 4EJ 0.0000006485 0.662 39.3189
349 4U0I 0LI 0.00001627 0.48299 39.3651
350 5DBX ANP 0.0000008631 0.62121 39.6285
351 5JGA 6KC 0.00000005194 0.56773 39.6285
352 4P5Z Q7M 0.000000706 0.49529 39.6285
353 5H2U 1N1 0.00000005475 0.65242 39.7004
354 4XLI 1N1 0.00000008105 0.65313 39.9254
355 4DC2 ADE 0.0000006025 0.66587 39.9381
356 4E1Z 0MX 0.000000005273 0.66461 39.9381
357 1JPA ANP 0.000002225 0.62186 39.9381
358 4E93 GUI 0.00000004603 0.56922 39.9381
359 5JFS 6K0 0.000003022 0.46311 39.9381
360 5DA3 58V 0.00000001267 0.72215 40
361 5U6C 7YS 0.0000001515 0.60964 40
362 5UR1 YY9 0.0000121 0.43825 40.1929
363 4K33 ACP 0.0000000006273 0.73143 40.2477
364 5MJA 7O3 0.00000002033 0.6909 40.5573
365 2XVD AS6 0.0000000173 0.60883 40.5573
366 4CSV STI 0.0002108 0.46956 40.8669
367 2F57 23D 0.0000007041 0.61709 41.1765
368 3VRY B43 0.00000004241 0.61249 41.1765
369 3KRL KRL 0.000002639 0.55602 41.1765
370 2X2M X2M 0.0000000005216 0.71607 41.4013
371 2OO8 RAJ 0.002105 0.43062 41.6404
372 2OFV 242 0.0000002482 0.52236 41.7957
373 1Y57 MPZ 0.0000001179 0.60741 42.1053
374 5JKG 6LF 0.00002759 0.44409 42.1222
375 5NKB 8ZT 0.00000009323 0.50692 42.1569
376 1U59 STU 0.0000002915 0.61908 42.1603
377 4WOV 3SM 0.000001791 0.60565 42.2713
378 2H8H H8H 0.0000000009083 0.73415 42.7245
379 5C03 AGS 0.00002164 0.5332 42.7245
380 4AT3 LTI 0.0000004603 0.54852 42.8094
381 5FBN 5WF 0.00000005435 0.55062 43.1734
382 1OPK P16 0.00003477 0.47112 43.3437
383 4BKJ STI 0.001037 0.43328 43.4921
384 1BYG STU 0.0000000204 0.69083 43.5252
385 4EWH T77 0.0000000277 0.60707 43.6364
386 2VZ6 FEF 0.00000001725 0.70456 43.6533
387 3C1X CKK 0.00009293 0.48919 43.6533
388 3SXS PP2 0.000000002079 0.69888 45.5224
389 3G5D 1N1 0.00000005246 0.45645 47.2028
390 4TWP AXI 0.000001011 0.45812 47.9705
391 2HK5 1BM 0.000000005084 0.68176 48.8889
Pocket No.: 2; Query (leader) PDB : 5UIU; Ligand: 8CG; Similar sites found: 70
This union binding pocket(no: 2) in the query (biounit: 5uiu.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2FAH MLA 0.04927 0.40142 1.23839
2 4XFR CIT 0.02784 0.41569 1.63934
3 5F6U 5VK 0.03794 0.40133 1.91083
4 5W2I ADP 0.0008113 0.44406 1.94553
5 5W2I I3P 0.0008113 0.44406 1.94553
6 4OCJ NDG 0.0001302 0.43053 2.16718
7 2HK9 ATR 0.01887 0.41433 2.18182
8 4ANW O92 0.002622 0.40318 2.47678
9 4FAI PBD 0.0435 0.40307 2.47678
10 1EXF GLY 0.03413 0.42055 2.47934
11 3OID TCL 0.04237 0.40369 2.71318
12 5HV7 RBL 0.00001734 0.56821 2.78638
13 3S5W ONH 0.03353 0.40652 2.78638
14 1WD4 AHR 0.03445 0.40462 2.78638
15 5LUN OGA 0.03544 0.40029 2.78638
16 5FQC OK3 0.01511 0.40494 2.89256
17 2IVD ACJ 0.02734 0.4025 2.92887
18 2QHS OCA 0.02731 0.40611 2.95359
19 3A16 PXO 0.03186 0.41733 3.09598
20 3LA3 2FT 0.03451 0.4106 3.29218
21 2QHV OC9 0.02031 0.41667 3.33333
22 1ZNY GDP 0.0493 0.4001 3.38164
23 3GLC R5P 0.01829 0.41123 3.38983
24 2GEK GDP 0.02311 0.40616 3.40557
25 3E7S AT2 0.03848 0.4039 3.40557
26 1UI0 URA 0.03668 0.41411 3.41463
27 1QY1 PRZ 0.01121 0.40166 3.44828
28 4BWL MN9 0.04049 0.4061 3.61842
29 3KV4 OGA 0.02302 0.41868 3.71517
30 2GC0 PAN 0.0123 0.4091 3.7234
31 1FWV SGA MAG FUC 0.008771 0.44356 3.73134
32 1W8S FBP 0.01681 0.40944 3.80228
33 3W0O HY0 0.00137 0.41912 4.02477
34 3W0O ADP 0.00137 0.41912 4.02477
35 5EW0 3C7 0.03142 0.41072 4.02477
36 5T9C G3P 0.04418 0.40185 4.10448
37 4JGP PYR 0.01457 0.4304 4.14747
38 1JG3 ADN 0.01418 0.40307 4.25532
39 4DO1 ANN 0.03706 0.40988 4.33437
40 4K6B GLU 0.03637 0.40728 4.34783
41 4WA2 SIA GAL NAG 0.00902 0.43981 4.64396
42 2CFM AMP 0.002268 0.46107 4.95356
43 4NOS ITU 0.02615 0.41091 5.57276
44 4R08 URI 0.01871 0.40718 5.57276
45 4DSU BZI 0.02486 0.41568 5.82011
46 2AQX ATP 0.003424 0.42418 5.88235
47 3N1S 5GP 0.0273 0.40254 5.88235
48 2GQS ADP 0.001348 0.45799 5.90717
49 3UW5 MAA CHG PRO 0DQ 0.04169 0.40505 6.03448
50 5C4L SIS 0.0004923 0.4265 6.23053
51 3TM0 ANP 0.001226 0.41547 6.84411
52 3TM0 B31 0.001334 0.41014 6.84411
53 4ETZ C2E 0.03529 0.40695 7.40741
54 4OYA 1VE 0.006182 0.4147 7.43034
55 5JDA AMP 0.02947 0.40137 7.43034
56 1KKR 2AS 0.02452 0.41845 8.04954
57 4J25 OGA 0.01883 0.42542 8.29694
58 4IA6 EIC 0.04865 0.40161 8.35913
59 1FHX 4IP 0.03546 0.40788 8.52713
60 1HE1 AF3 0.04719 0.40114 9.28793
61 3QH2 3NM 0.03479 0.40833 11.3122
62 4XMF HSM 0.00003322 0.61563 11.413
63 5LXT ACP 0.001998 0.43093 11.7647
64 1FAO 4IP 0.0188 0.42273 13.4921
65 4O4F ATP 0.005627 0.40587 13.7097
66 4O4F IHP 0.006593 0.40034 13.7097
67 2X3J ATP 0.003821 0.42547 14.2415
68 4B9K TG0 0.04347 0.40308 16.3462
69 3W9K MYR 0.00951 0.42148 17.2662
70 4NST AF3 0.0000001579 0.67904 32.1981
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