Receptor
PDB id Resolution Class Description Source Keywords
5T8O 2.41 Å EC: 2.7.11.25 CRYSTAL STRUCTURE OF MURINE NF-KAPPAB INDUCING KINASE (NIK) IMIDAZOBENZOXEPIN COMPOUND 3 MUS MUSCULUS PROTEIN SERINE/THREONINE KINASE NF-KAPPAB MAP3K14 TRANSFE
Ref.: STRUCTURE-BASED DESIGN OF TRICYCLIC NF-KAPPA B INDU KINASE (NIK) INHIBITORS THAT HAVE HIGH SELECTIVITY PHOSPHOINOSITIDE-3-KINASE (PI3K). J. MED. CHEM. V. 60 627 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
76Z B:704;
A:705;
Valid;
Valid;
none;
none;
Ki = 0.31 uM
311.335 C17 H17 N3 O3 CC(C)...
SO4 A:701;
A:704;
B:701;
A:702;
B:702;
A:703;
B:703;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5T8O 2.41 Å EC: 2.7.11.25 CRYSTAL STRUCTURE OF MURINE NF-KAPPAB INDUCING KINASE (NIK) IMIDAZOBENZOXEPIN COMPOUND 3 MUS MUSCULUS PROTEIN SERINE/THREONINE KINASE NF-KAPPAB MAP3K14 TRANSFE
Ref.: STRUCTURE-BASED DESIGN OF TRICYCLIC NF-KAPPA B INDU KINASE (NIK) INHIBITORS THAT HAVE HIGH SELECTIVITY PHOSPHOINOSITIDE-3-KINASE (PI3K). J. MED. CHEM. V. 60 627 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5T8O Ki = 0.31 uM 76Z C17 H17 N3 O3 CC(C)(C#Cc....
2 5T8P Ki = 1.28 uM 774 C12 H10 N2 O2 S c1cc(nc-2c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5T8O Ki = 0.31 uM 76Z C17 H17 N3 O3 CC(C)(C#Cc....
2 5T8P Ki = 1.28 uM 774 C12 H10 N2 O2 S c1cc(nc-2c....
3 4IDT ic50 = 0.1 uM T28 C15 H13 Br N4 c1cc2c(cc1....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5T8O Ki = 0.31 uM 76Z C17 H17 N3 O3 CC(C)(C#Cc....
2 5T8P Ki = 1.28 uM 774 C12 H10 N2 O2 S c1cc(nc-2c....
3 4IDT ic50 = 0.1 uM T28 C15 H13 Br N4 c1cc2c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 76Z; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 76Z 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5T8O; Ligand: 76Z; Similar sites found: 348
This union binding pocket(no: 1) in the query (biounit: 5t8o.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3AKK ADP 0.001578 0.42228 1.53846
2 1PK8 ATP 0.000271 0.46655 1.7192
3 4PU5 ANP 0.001881 0.42669 1.7192
4 2V58 LZJ 0.0004073 0.48266 2.00573
5 2VQD AP2 0.0003157 0.4557 2.00573
6 2QK4 ATP 0.0007444 0.40132 2.00573
7 3ORQ ADP 0.00355 0.41123 2.12202
8 4R78 AMP 0.000001183 0.50372 2.26537
9 1ZTH ADP 0.000005588 0.48568 2.32558
10 1ZP9 ATP 0.00001812 0.48103 2.32558
11 3KA2 2NC 0.006313 0.43295 2.46305
12 5MW8 ATP 0.00007598 0.48633 2.5788
13 4ZS4 ATP 0.0001948 0.45825 2.60586
14 4O4F IHP 0.000651 0.45183 2.82258
15 4O4F ATP 0.0005935 0.45183 2.82258
16 3UDZ ADP 0.00002981 0.49244 2.86533
17 3KAL ADP 0.003532 0.42828 2.86533
18 3PDT ADP 0.0003104 0.43117 2.90909
19 4NZN 2OU 0.004156 0.4351 3.0303
20 4NZN ANP 0.004156 0.4351 3.0303
21 3F3E LEU 0.01851 0.40135 3.15186
22 1IA9 ANP 0.0001804 0.47069 3.4384
23 1TZD ADP 0.00001198 0.41394 3.4384
24 5W2I ADP 0.00018 0.47231 3.50195
25 5W2I I3P 0.00018 0.47231 3.50195
26 3TII ANP 0.0006987 0.41073 3.68421
27 3Q60 ATP 0.00001699 0.48868 3.72493
28 2IF8 ADP 0.00001872 0.4476 3.72493
29 2PUL ACP 0.007684 0.4188 3.72493
30 4CYI ATP 0.0001445 0.47005 4.01146
31 1M0W ANP 0.002268 0.4007 4.01146
32 2Q7D ANP 0.006522 0.40828 4.04624
33 5IQD GNP 0.002491 0.43877 4.2623
34 5IQD RIO 0.002643 0.43877 4.2623
35 5NCY 8TK 0.00005156 0.50522 4.29799
36 4OCJ NDG 0.0001974 0.48981 4.29799
37 2VPQ ANP 0.0003349 0.45876 4.29799
38 3I0O ADP 0.00009978 0.44618 4.29799
39 2IO8 ADP 0.001423 0.43368 4.29799
40 1W2D 4IP 0.001027 0.44644 4.5283
41 1W2D ADP 0.0000921 0.44635 4.5283
42 4OAV ACP 0.00000006768 0.58301 4.58453
43 4OUC 5ID 0.000001542 0.52188 4.58453
44 5VZ0 ADP 0.0002496 0.445 4.58453
45 3VOT ADP 0.0008338 0.41604 4.94118
46 3TM0 ANP 0.0002061 0.40566 4.94297
47 4L2I FAD 0.015 0.40346 4.94297
48 3TM0 B31 0.0002227 0.40027 4.94297
49 4YHQ G10 0.01337 0.40353 5.05051
50 4XYM A12 0.0008611 0.4319 5.15759
51 5C1P DAL DAL 0.00596 0.40846 5.22876
52 5C1P ADP 0.001893 0.40276 5.22876
53 3W0O HY0 0.0003901 0.46649 5.73066
54 3W0O ADP 0.0003901 0.46649 5.73066
55 4UWH JXM 0.0009673 0.41336 5.73066
56 3RE4 TO1 0.00001879 0.4675 5.81395
57 3ETH ATP 0.005276 0.40575 5.91549
58 3WVR AMP 0.0004488 0.42982 6.04027
59 4C5N ACP 0.0062 0.41735 6.15942
60 4C5N PXL 0.007193 0.41565 6.15942
61 2BKK ADP 0.00005786 0.45634 6.30372
62 5FI4 5XV 0.001869 0.42858 6.30372
63 1T9D 1MM 0.04988 0.40628 6.30372
64 5DXT 5H5 0.004679 0.40224 6.30372
65 4LRJ ANP 0.0001757 0.44903 6.50888
66 4GYI ADP 0.000002929 0.57671 6.59026
67 4U98 ACP 0.0002937 0.44055 6.59026
68 2AQX ATP 0.001295 0.43173 6.59026
69 2YW2 ATP 0.004422 0.40719 6.59026
70 2PYW ADP 0.000007741 0.52379 6.87679
71 3VPB ADP 0.0001155 0.48258 7.0922
72 3VPC ADP 0.0001214 0.47548 7.0922
73 4ANW O92 0.00003128 0.51825 7.16332
74 5I35 ANP 0.0000232 0.48552 7.16332
75 3TDV GDP 0.0006111 0.43456 7.18954
76 4Q5H ANP 0.0001017 0.464 7.47126
77 5C4L 4XR 0.006657 0.41345 7.78816
78 1T36 ADP 0.003147 0.4236 8.59599
79 5GZ9 ANP 0.0000001693 0.59979 8.85246
80 5CKW ANP 0.00001303 0.479 8.88252
81 3HAV ATP 0.00787 0.40472 9.0301
82 5LXT ACP 0.004266 0.41145 9.16905
83 4OCV ANP 0.0003237 0.45088 9.23483
84 3LOO B4P 0.01596 0.40224 9.45559
85 1IOW ADP 0.003514 0.42962 9.80392
86 1IOW PHY 0.003514 0.42962 9.80392
87 5IGI GMP 0.01717 0.4008 10.299
88 3DNT ATP 0.002522 0.42297 11.1748
89 4WW7 AMP 0.000006928 0.52838 12.6074
90 4YLL 4E3 0.0000003161 0.58819 12.894
91 3GQI ACP 0.0000001587 0.57641 13.467
92 4AZW ATP 0.0003996 0.45137 13.467
93 4JR7 GNP 0.00000009694 0.58531 14.0401
94 3UIM ANP 0.000001709 0.53692 14.4172
95 4U0I 0LI 0.000001686 0.57267 14.9206
96 5UR1 YY9 0.00001108 0.55222 15.1125
97 1Q8Y ADP 0.0000000728 0.60948 15.1862
98 4O1P ANP 0.00000002745 0.60736 15.1862
99 1Q8Y ADE 0.000002102 0.48201 15.1862
100 5DMZ ADP 0.0000002216 0.57181 15.4728
101 5MY8 RXZ 0.000002552 0.55418 15.7593
102 1I7L ATP 0.0005184 0.45255 18.123
103 4F9C 0SX 0.0000001427 0.5696 18.3381
104 2PZI AXX 0.00005311 0.51722 18.6246
105 4Y0X ADP 0.00001124 0.49115 18.6246
106 4E1Z 0MX 0.000000447 0.58175 19.5876
107 4I94 ANP 0.0000021 0.52518 20
108 5AWM ANP 0.000000001484 0.60595 20.3438
109 4FL3 ANP 0.0000009244 0.56559 20.3438
110 4IZY 1J2 0.00008769 0.47922 20.3438
111 4UX9 ANP 0.00000004141 0.61984 20.6304
112 3VHE 42Q 0.0000003006 0.60368 20.6304
113 4ASE AV9 0.0000009505 0.57735 20.6304
114 5VC5 96M 0.00000006665 0.62775 20.7612
115 5M06 ADP 0.00005581 0.45949 21.7765
116 5JKG 6LF 0.000006639 0.55651 21.865
117 4CRL C1I 0.0000008964 0.58873 21.9212
118 2Y6O 1N1 0.0000004333 0.57959 22.3368
119 2RIO ADP 0.00000002618 0.59818 22.3496
120 4AG8 AXI 0.000001898 0.57776 22.4684
121 3M2W L8I 0.0000000107 0.58999 22.7425
122 4FF8 14S 0.00004473 0.45121 22.9102
123 4WHZ 3NL 0.00000007433 0.6598 22.9226
124 3TTI KBI 0.00000009791 0.62045 22.9226
125 3PTG 932 0.000004586 0.48033 22.9226
126 4WOV 3SM 0.00007098 0.45217 23.2092
127 4YZC STU 0.00000003809 0.65605 23.4957
128 5N87 N66 0.0000001059 0.63411 23.4957
129 5C03 AGS 0.00006837 0.47271 23.4957
130 3OFM 4B0 0.00000004072 0.56962 23.7143
131 4BTK DTQ 0.000002556 0.53219 23.7389
132 3HMO STU 0.000001315 0.53141 23.7822
133 3GNI ATP 0.0000095 0.52003 23.7822
134 1PHK ATP 0.00000003401 0.61304 23.8255
135 1OPK P16 0.000004008 0.55603 24.0688
136 4D2S DYK 0.0000001431 0.54528 24.2958
137 2H8H H8H 0.00000004597 0.59757 24.3553
138 1Y57 MPZ 0.000003326 0.54446 24.3553
139 2PVN P63 0.00000008389 0.62579 24.4318
140 3PE2 E1B 0.0000008489 0.60781 24.9258
141 2QLU ADE 0.0000006826 0.42921 25.1592
142 5HCY 60D 0.000000008136 0.69775 25.2149
143 2B9H ADP 0.0000000004648 0.69009 25.2149
144 4XH0 ADP 0.0000001621 0.67634 25.2149
145 2B9I ADP 0.000000001277 0.65996 25.2149
146 2B9J ADP 0.000000004593 0.62621 25.2149
147 4CLI 5P8 0.0000003558 0.62227 25.3823
148 4IJP 1EH 0.00000001195 0.64266 25.5014
149 3VRY B43 0.00000003202 0.57337 25.5014
150 1OUK 084 0.00003712 0.56996 25.5014
151 3C1X CKK 0.000049 0.49224 25.5014
152 4LOO SB4 0.00002955 0.48698 25.5014
153 4N70 2HX 0.00000002548 0.68144 25.6098
154 5W4W 9WG 0.00000009203 0.62857 25.6798
155 4KBA 1QM 0.0000006772 0.58378 25.6798
156 3KMW ATP 0.00001778 0.48884 25.8303
157 4NFN 2KC 0.000003871 0.52139 25.89
158 5U6C 7YS 0.0000005931 0.57379 26.0317
159 2B9F ADP 0.000000003045 0.64536 26.0745
160 3GC8 B45 0.0000003443 0.58384 26.0745
161 4IX4 ADP 0.00000311 0.54054 26.0745
162 5EKO N17 0.0001276 0.4767 26.0745
163 3LXN MI1 0.00000006164 0.61254 26.1006
164 4K33 ACP 0.00000008769 0.59627 26.1538
165 3PP0 03Q 0.000000001247 0.61347 26.3314
166 4E93 GUI 0.0000001163 0.62621 26.361
167 3E7O 35F 0.0000004542 0.59992 26.361
168 5LXC 7AA 0.00000002137 0.58941 26.361
169 5USZ SKE 0.000001935 0.56387 26.361
170 4M69 ANP 0.00007095 0.48311 26.5018
171 1VJY 460 0.0000000008982 0.72008 26.7327
172 3CY2 MB9 0.0000001674 0.6 26.7516
173 3BU5 ATP 0.00000006323 0.5932 26.7974
174 2JLD AG1 0.000001083 0.58506 26.9341
175 3F7Z 34O 0.0000001143 0.58442 26.9341
176 5KO1 6UY 0.0000001889 0.56556 26.9341
177 3ZRM ZRM 0.000002596 0.52939 26.9341
178 3IGO ANP 0.000001762 0.54032 27.2206
179 5EOB 5QQ 0.000001076 0.6122 27.2727
180 1TQP ATP 0.00003388 0.50351 27.305
181 3FHR P4O 0.0000008968 0.57016 27.381
182 3DLS ADP 0.00000001081 0.60059 27.4627
183 4GJ3 0XP 0.0000000008428 0.71877 27.4834
184 4QTB 38Z 0.00000003849 0.64063 27.5072
185 2YAB AMP 0.000002322 0.53928 27.5072
186 4NST ADP 0.000001691 0.5364 27.5072
187 4Y93 746 0.0002617 0.46721 27.5072
188 3GC0 AMP 0.0000183 0.47731 27.6596
189 4X7Q 3YR 0.000000008571 0.62738 27.8846
190 5EFQ ADP 0.0000007788 0.55014 27.9539
191 4WB6 ATP 0.00000009248 0.61906 28.0802
192 3TXO 07U 0.00000000839 0.60508 28.0802
193 3V8S 0HD 0.0000009994 0.53479 28.0802
194 4NM5 ADP 0.0004205 0.4872 28.0802
195 4OH4 ANP 0.0000000397 0.60135 28.2282
196 5LPZ ADP 0.0000000187 0.61337 28.3133
197 1RE8 BD2 0.00000004645 0.6662 28.3668
198 5BVE 4VG 0.0000001126 0.66593 28.3668
199 2ZV2 609 0.0000001649 0.64549 28.3668
200 3FHI ANP 0.00000005064 0.63042 28.3668
201 3IDB ANP 0.00000003799 0.62755 28.3668
202 4WB7 ATP 0.0000001819 0.62354 28.3668
203 2QCS ANP 0.00000008429 0.62081 28.3668
204 4H3P ANP 0.0000003432 0.5648 28.3668
205 4L9I 8PR 0.00003434 0.47796 28.3668
206 4OTH DRN 0.000002391 0.54803 28.4457
207 2WU6 DKI 0.00000002398 0.6361 28.6533
208 4H3Q ANP 0.00000008354 0.61291 28.6533
209 5TO8 7FM 0.000002673 0.57599 28.7234
210 4G17 0VN 0.00000581 0.49925 28.7879
211 4NW6 2NS 0.000000007359 0.67949 28.7926
212 4Y8D 49J 0.00000002555 0.60925 28.8235
213 4EUU BX7 0.0000009128 0.57584 28.8401
214 4BKJ STI 0.0001971 0.47254 28.8889
215 2X2M X2M 0.00000002203 0.63463 28.9398
216 5LI1 ANP 0.0000000401 0.62356 28.9398
217 4YMJ 4EJ 0.000004194 0.45635 28.9474
218 4TWP AXI 0.00000005666 0.66061 29.1513
219 3KRR DQX 0.000000005959 0.72947 29.1525
220 4U44 3D9 0.0000006984 0.55319 29.2264
221 2WQN ADP 0.0000475 0.51952 29.3548
222 3G5D 1N1 0.000000004385 0.72629 29.3706
223 2GU8 796 0.0000000009652 0.75734 29.3769
224 5UIU 8CG 0.00000002005 0.6555 29.4118
225 3QCQ 3Q0 0.0000004856 0.65487 29.4872
226 4WNK 453 0.000001006 0.58057 29.5129
227 1BYG STU 0.0000002054 0.55301 29.5129
228 4I6H 1C8 0.00009168 0.46546 29.5455
229 4AUA 4AU 0.000004022 0.51798 29.6417
230 3KN5 ANP 0.0000003787 0.53294 29.8462
231 4XLI 1N1 0.0000001667 0.56714 29.8507
232 1XJD STU 0.0000000142 0.62952 29.8551
233 2Z7R STU 0.0000001538 0.59873 29.9065
234 3EKK GS2 0.000001853 0.57994 29.9674
235 3LXK MI1 0.00000002786 0.64429 29.9694
236 5K2M ADP 0.0006807 0.44746 30.1887
237 2PVF ACP 0.00000001929 0.60082 30.2395
238 3TKI S25 0.0000004107 0.63064 30.3406
239 5X8I SQZ 0.00000001672 0.61664 30.3468
240 2HY0 306 0.000002871 0.50493 30.4348
241 4AU8 Z3R 0.0000003994 0.52253 30.7432
242 5VCV 1N1 0.000000003459 0.6752 30.8682
243 5LVP ATP 0.00002868 0.46827 30.8682
244 4EWH T77 0.00000003633 0.63926 30.9091
245 2OFV 242 0.0000001696 0.62491 31.0469
246 4AT3 LTI 0.0000046 0.55147 31.1037
247 5HQ0 LZ9 0.00000001147 0.64342 31.1258
248 3O0G 3O0 0.00000002409 0.6025 31.1644
249 1UNH IXM 0.00000002036 0.57872 31.1644
250 4RFM 3P6 0.000005962 0.5712 31.203
251 5JFS 6K0 0.0000009088 0.5989 31.2321
252 1CM8 ANP 0.0000001151 0.57317 31.2321
253 4FG8 ATP 0.000002977 0.54134 31.2321
254 3E8N ATP 0.0009375 0.49723 31.2321
255 3E8N VRA 0.0009375 0.49723 31.2321
256 1U5R ATP 0.001609 0.4497 31.2321
257 2BPM 529 0.00000002015 0.68618 31.3916
258 3SRV S19 0.000000007936 0.61705 31.4079
259 5IH9 6BF 0.00000001376 0.67395 31.5186
260 4BFM ANP 0.0000001424 0.59717 31.5186
261 2CSN CKI 0.001186 0.47137 31.6498
262 2XK9 XK9 0.000175 0.52363 31.677
263 4WNP 3RJ 0.000000006705 0.59612 31.7073
264 5LPB ADP 0.00000002321 0.56578 31.7568
265 3H9R TAK 0.000004056 0.47211 31.8052
266 4F4P 0SB 0.00000002422 0.69525 31.8681
267 4CSV STI 0.0000183 0.51278 32
268 4CFU 2WC 0.00000002483 0.58734 32.0132
269 1ZY5 ANP 0.0001929 0.44706 32.0132
270 3C0G 3AM 0.000001053 0.52054 32.0917
271 4BCQ TJF 0.00000007622 0.54596 32.2259
272 4BCM T7Z 0.000001366 0.4803 32.2259
273 1V0O INR 0.00000002243 0.62138 32.2917
274 4BCN T9N 0.0000000115 0.69045 32.3333
275 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.00000001754 0.69923 32.3782
276 2JDR L20 0.00000001754 0.69923 32.3782
277 3NW7 LGV 0.0000001608 0.64124 32.3782
278 4P5Z Q7M 0.0000002515 0.62087 32.3782
279 3ALN ANP 0.0000002505 0.58679 32.3782
280 1K3A ACP 0.000005783 0.49273 32.3782
281 2XMY CDK 0.0000005263 0.63722 32.5503
282 5LMK 6ZK 0.0000118 0.48577 32.6599
283 3HZT J60 0.000002568 0.49409 32.6648
284 1U59 STU 0.0000002644 0.57029 32.7526
285 3RI1 3RH 0.000000628 0.5829 32.9073
286 2HK5 1BM 0.00000001307 0.64102 32.963
287 5JZJ AN2 0.000000005372 0.62264 32.9966
288 2WEI VGG 0.000001162 0.52609 33.101
289 4L3L 5FI 0.000003104 0.559 33.2237
290 3MVH WFE 0.0000008608 0.58355 33.2378
291 3GGF GVD 0.00000004449 0.58082 33.2378
292 3KRL KRL 0.00001684 0.51198 33.2378
293 2A19 ANP 0.000001325 0.60165 33.4507
294 3SXF BK5 0.0000004011 0.60624 33.5244
295 5TA6 79D 0.00001006 0.5326 33.5244
296 3PVW QRX 0.00001352 0.52497 33.5244
297 5UKL SIX 0.00004438 0.50445 33.5244
298 4USF 6UI 0.000001424 0.56272 33.5526
299 4A4X JUP 0.000001738 0.56368 33.6918
300 2R5T ANP 0.01958 0.40739 33.8109
301 5NKB 8ZT 0.00000008469 0.46632 33.9869
302 5DRB 5FJ 0.000003185 0.58123 34.0206
303 2YAK OSV 0.0000002641 0.60616 34.0351
304 5H2U 1N1 0.0000007997 0.54863 34.0824
305 3ORK AGS 0.00001159 0.52576 34.0974
306 5DA3 58V 0.0000002856 0.52332 34.3396
307 4XV1 904 0.00000004216 0.64796 34.384
308 4CQE CQE 0.00000007668 0.61158 34.384
309 5MJA 7O3 0.00000007456 0.571 34.384
310 4G31 0WH 0.0000157 0.53326 34.384
311 5LI9 ACP 0.00001376 0.51895 34.384
312 2OO8 RAJ 0.00004839 0.49247 34.384
313 4DC2 ADE 0.0000001289 0.48287 34.384
314 5HVJ ANP 0.0000003915 0.46708 34.384
315 2WEL K88 0.0000066 0.44884 34.5566
316 2V7O DRN 0.00000006993 0.53974 34.8214
317 3FC2 IBI 0.002658 0.46061 34.9254
318 2XVD AS6 0.00000003084 0.64485 34.957
319 3DAK ANP 0.000002445 0.51397 34.957
320 5DEY 59T 0.0000002441 0.64126 35.0168
321 3SXS PP2 0.0000001656 0.5944 35.0746
322 4C2V YJA 0.000002607 0.56234 35.0877
323 5HX8 66P 0.0000002545 0.59995 35.2436
324 4JDI ANP 0.0000002737 0.58517 35.2436
325 2VZ6 FEF 0.0000008684 0.52166 35.4633
326 5G1X ADP 0.00000009163 0.57711 35.7895
327 5L8L ADP 0.000004821 0.49013 35.7895
328 5FBN 5WF 0.0000003153 0.61092 35.7934
329 5JGA 6KC 0.0000000006066 0.72766 35.8166
330 4C2W ANP 0.000007352 0.48081 35.8423
331 5LXM ADP 0.00000006724 0.5815 36.0424
332 5EYK 5U5 0.000001098 0.57461 36.2319
333 4YZN 4K5 0.0000001541 0.60154 36.2369
334 5EW9 5VC 0.000003064 0.62455 36.5314
335 3E5A VX6 0.000003406 0.50143 36.9403
336 5BYZ 4WE 0.0000006174 0.59199 37.2493
337 5DBX ANP 0.00004492 0.45634 37.2493
338 2VN9 GVD 0.0000008963 0.50273 37.5415
339 5DH3 5BS 0.000001597 0.55278 37.7778
340 3PLS ANP 0.0000008131 0.54318 38.255
341 2F57 23D 0.00001074 0.48971 38.4858
342 3SLS ANP 0.000000532 0.5758 38.6819
343 5AX9 4KT 0.00000004538 0.60016 38.961
344 4QMN DB8 0.00000005239 0.64785 39.3548
345 2X4Z X4Z 0.00000005663 0.64431 40.5405
346 3AQV TAK 0.0005387 0.43741 40.5797
347 5A6N U7E 0.000004013 0.52992 40.9894
348 4KS7 X4Z 0.000001934 0.55453 41.7808
Pocket No.: 2; Query (leader) PDB : 5T8O; Ligand: 76Z; Similar sites found: 10
This union binding pocket(no: 2) in the query (biounit: 5t8o.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4MV1 ADP 0.00307 0.43331 1.43266
2 5JM8 ATP 0.007962 0.40136 1.7192
3 3RGA LSB 0.003172 0.40434 2.5788
4 5TDF ADP 0.007334 0.40114 4.01146
5 4YHB FAD 0.008979 0.40541 6.22711
6 5U98 1KX 0.01559 0.40969 7.07071
7 5ABH YWN 0.005818 0.4073 7.16332
8 3ML1 MGD 0.03968 0.40947 13.3333
9 5FS0 5JC 0.01868 0.40273 13.7441
10 4XIZ LPP 0.01423 0.40418 14.2857
Feedback