Receptor
PDB id Resolution Class Description Source Keywords
4DY6 2.2 Å EC: 2.7.1.23 CRYSTAL STRUCTURE OF NAD KINASE 1 FROM LISTERIA MONOCYTOGENE COMPLEX WITH 2'-PHOSPHATE BIS(ADENOSINE)-5'-DIPHOSPHATE LISTERIA MONOCYTOGENES LMNADK1 NAD ANALOG INORGANIC POLYPHOSPHATES TRANSFERASE
Ref.: NAD KINASES USE SUBSTRATE-ASSISTED CATALYSIS FOR SP RECOGNITION OF NAD. J.BIOL.CHEM. V. 282 33925 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A22 A:301;
Valid;
none;
submit data
756.407 C20 H27 N10 O16 P3 c1nc(...
CIT A:302;
Invalid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DHU 2.33 Å EC: 2.7.1.23 CRYSTAL STRUCTURE OF NAD KINASE 1 FROM LISTERIA MONOCYTOGENE COMPLEX WITH A NOVEL INHIBITOR LISTERIA MONOCYTOGENES SEROVAR 1/2A (SATCC BAA-679 / EGD-E) TETRAMERIC NAD KINASE TRANSFERASE
Ref.: 8-THIOALKYL-ADENOSINE DERIVATIVES INHIBIT LISTERIA MONOCYTOGENES NAD KINASE THROUGH A NOVEL BINDING MO EUR.J.MED.CHEM. V. 124 1041 2016
Members (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3V7Y - A3N C13 H16 N6 O3 C#CCNC[C@@....
2 2Q5F Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
3 3V8M - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
4 3V8P - ZNB C22 H26 Br N14 O7 S c1nc(c2c(n....
5 3V7W - ZAS C10 H13 N8 O3 c1nc(c2c(n....
6 4DY6 - A22 C20 H27 N10 O16 P3 c1nc(c2c(n....
7 3V80 - AOC C13 H15 N5 O4 C#CCOC[C@@....
8 2I2A Ki = 0.04 mM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 2I2D - A2D C20 H26 N10 O13 P2 c1nc(c2c(n....
10 5DHQ Ki = 2 uM 5AK C20 H23 Br N6 O5 S c1cc(cc(c1....
11 3V8R - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
12 2I2C Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
13 2I2F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 2I29 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 3V8Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
16 2I2B - CC5 C9 H11 N5 O3 c1nc(c2c(n....
17 5DHR Ki = 23 uM 5AJ C21 H23 N11 O4 S c1ccc2c(c1....
18 3V8N - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
19 5DHP Ki = 140 uM 5AQ C20 H24 N6 O5 S c1ccc(cc1)....
20 5DHU Ki = 0.5 uM 5A8 C22 H24 N10 O4 S c1ccc2c(c1....
21 3V7U - MTA C11 H15 N5 O3 S CSC[C@@H]1....
70% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3V7Y - A3N C13 H16 N6 O3 C#CCNC[C@@....
2 2Q5F Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
3 3V8M - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
4 3V8P - ZNB C22 H26 Br N14 O7 S c1nc(c2c(n....
5 3V7W - ZAS C10 H13 N8 O3 c1nc(c2c(n....
6 4DY6 - A22 C20 H27 N10 O16 P3 c1nc(c2c(n....
7 3V80 - AOC C13 H15 N5 O4 C#CCOC[C@@....
8 2I2A Ki = 0.04 mM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 2I2D - A2D C20 H26 N10 O13 P2 c1nc(c2c(n....
10 5DHQ Ki = 2 uM 5AK C20 H23 Br N6 O5 S c1cc(cc(c1....
11 3V8R - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
12 2I2C Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
13 2I2F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 2I29 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 3V8Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
16 2I2B - CC5 C9 H11 N5 O3 c1nc(c2c(n....
17 5DHR Ki = 23 uM 5AJ C21 H23 N11 O4 S c1ccc2c(c1....
18 3V8N - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
19 5DHP Ki = 140 uM 5AQ C20 H24 N6 O5 S c1ccc(cc1)....
20 5DHU Ki = 0.5 uM 5A8 C22 H24 N10 O4 S c1ccc2c(c1....
21 3V7U - MTA C11 H15 N5 O3 S CSC[C@@H]1....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3V7Y - A3N C13 H16 N6 O3 C#CCNC[C@@....
2 2Q5F Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
3 3V8M - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
4 3V8P - ZNB C22 H26 Br N14 O7 S c1nc(c2c(n....
5 3V7W - ZAS C10 H13 N8 O3 c1nc(c2c(n....
6 4DY6 - A22 C20 H27 N10 O16 P3 c1nc(c2c(n....
7 3V80 - AOC C13 H15 N5 O4 C#CCOC[C@@....
8 2I2A Ki = 0.04 mM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 2I2D - A2D C20 H26 N10 O13 P2 c1nc(c2c(n....
10 5DHQ Ki = 2 uM 5AK C20 H23 Br N6 O5 S c1cc(cc(c1....
11 3V8R - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
12 2I2C Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
13 2I2F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 2I29 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 3V8Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
16 2I2B - CC5 C9 H11 N5 O3 c1nc(c2c(n....
17 5DHR Ki = 23 uM 5AJ C21 H23 N11 O4 S c1ccc2c(c1....
18 3V8N - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
19 5DHP Ki = 140 uM 5AQ C20 H24 N6 O5 S c1ccc(cc1)....
20 5DHU Ki = 0.5 uM 5A8 C22 H24 N10 O4 S c1ccc2c(c1....
21 3V7U - MTA C11 H15 N5 O3 S CSC[C@@H]1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: A22; Similar ligands found: 405
No: Ligand ECFP6 Tc MDL keys Tc
1 A22 1 1
2 A2R 0.821429 0.972222
3 ATR 0.814815 0.957747
4 25L 0.808989 1
5 A2D 0.805195 0.985915
6 25A 0.802326 0.985915
7 BA3 0.7625 0.985915
8 A2P 0.7625 0.943662
9 NA7 0.755556 0.945946
10 B4P 0.753086 0.985915
11 ADP 0.753086 0.985915
12 AP5 0.753086 0.985915
13 SAP 0.75 0.933333
14 AGS 0.75 0.933333
15 ATP 0.746988 0.985915
16 AN2 0.743902 0.972222
17 5FA 0.738095 0.985915
18 AQP 0.738095 0.985915
19 AR6 0.738095 0.958333
20 APR 0.738095 0.958333
21 M33 0.714286 0.945205
22 AD9 0.709302 0.958904
23 ACP 0.705882 0.958904
24 A 0.7 0.957747
25 AMP 0.7 0.957747
26 ADQ 0.695652 0.958904
27 ACQ 0.693182 0.958904
28 OAD 0.680851 0.932432
29 2AM 0.675 0.930556
30 ADX 0.674419 0.8625
31 CA0 0.674419 0.932432
32 ANP 0.674157 0.958904
33 50T 0.666667 0.945205
34 NJP 0.663551 0.959459
35 A1R 0.659574 0.896104
36 ATF 0.659341 0.945946
37 PRX 0.659091 0.881579
38 ABM 0.654762 0.905405
39 SRA 0.650602 0.906667
40 BIS 0.649485 0.921053
41 3OD 0.649485 0.932432
42 ODP 0.648148 0.922078
43 NPW 0.64486 0.898734
44 NDP 0.64486 0.934211
45 AMP MG 0.642857 0.88
46 APC 0.640449 0.945946
47 AP2 0.639535 0.945946
48 A12 0.639535 0.945946
49 TXP 0.638889 0.934211
50 NZQ 0.638889 0.922078
51 TAT 0.637363 0.945946
52 5AL 0.630435 0.918919
53 00A 0.618557 0.896104
54 ADP MG 0.617977 0.893333
55 AU1 0.617977 0.958904
56 SRP 0.617021 0.894737
57 PAP 0.615385 0.971831
58 5SV 0.614583 0.8375
59 XNP 0.612613 0.886076
60 ADP BEF 0.611111 0.87013
61 BEF ADP 0.611111 0.87013
62 4AD 0.608247 0.907895
63 OMR 0.607477 0.841463
64 NAX 0.598131 0.886076
65 NAI 0.598131 0.921053
66 8QN 0.597938 0.918919
67 OOB 0.597938 0.945205
68 RBY 0.597826 0.92
69 ADV 0.597826 0.92
70 ADP PO3 0.597826 0.930556
71 AMO 0.591837 0.92
72 PAJ 0.591837 0.873418
73 ATP MG 0.591398 0.893333
74 AFH 0.590476 0.897436
75 48N 0.588785 0.884615
76 AP0 0.587156 0.909091
77 AHX 0.585859 0.884615
78 DLL 0.585859 0.945205
79 A3P 0.58427 0.957747
80 1ZZ 0.584158 0.829268
81 FYA 0.584158 0.918919
82 PTJ 0.584158 0.884615
83 TXD 0.583333 0.921053
84 6V0 0.583333 0.909091
85 G3A 0.580952 0.934211
86 ADP BMA 0.58 0.932432
87 3UK 0.58 0.932432
88 1DG 0.579832 0.934211
89 DG1 0.579832 0.934211
90 TXE 0.577982 0.921053
91 AR6 AR6 0.575472 0.931507
92 G5P 0.575472 0.934211
93 OVE 0.574713 0.893333
94 LAD 0.574257 0.85
95 PR8 0.574257 0.839506
96 WAQ 0.574257 0.871795
97 ALF ADP 0.572917 0.858974
98 ADP ALF 0.572917 0.858974
99 9SN 0.572816 0.884615
100 UPA 0.572727 0.921053
101 NAP 0.571429 0.958904
102 MAP 0.571429 0.933333
103 SON 0.571429 0.92
104 GTA 0.570093 0.898734
105 2A5 0.569892 0.906667
106 3AM 0.569767 0.916667
107 RAB 0.56962 0.833333
108 XYA 0.56962 0.833333
109 ADN 0.56962 0.833333
110 NXX 0.568807 0.945946
111 DND 0.568807 0.945946
112 UP5 0.568807 0.933333
113 ME8 0.568627 0.829268
114 TXA 0.568627 0.92
115 NB8 0.568627 0.884615
116 GAP 0.568421 0.881579
117 V3L 0.568421 0.958333
118 ADP VO4 0.56701 0.918919
119 VO4 ADP 0.56701 0.918919
120 ANP MG 0.56701 0.883117
121 TAP 0.566667 0.921053
122 ITT 0.565217 0.930556
123 PO4 PO4 A A A A PO4 0.564356 0.916667
124 PPS 0.5625 0.8625
125 NA0 0.561983 0.945946
126 139 0.557522 0.886076
127 ADJ 0.557522 0.864198
128 FA5 0.552381 0.92
129 YAP 0.552381 0.907895
130 ENP 0.54902 0.906667
131 7D4 0.548387 0.893333
132 XAH 0.54717 0.829268
133 4TC 0.544643 0.909091
134 A A 0.543689 0.958333
135 5AS 0.543478 0.770115
136 0WD 0.543103 0.934211
137 COD 0.543103 0.802326
138 4UV 0.542056 0.907895
139 DAL AMP 0.54 0.893333
140 A4P 0.539823 0.855422
141 CNA 0.53913 0.945946
142 7D3 0.538462 0.893333
143 ATP A A A 0.537736 0.944444
144 LAQ 0.536364 0.829268
145 AOC 0.533333 0.810811
146 4UU 0.53211 0.907895
147 T5A 0.530435 0.853659
148 CO7 0.527132 0.795455
149 4UW 0.526786 0.873418
150 JB6 0.52381 0.896104
151 TYM 0.522124 0.92
152 MYR AMP 0.518868 0.807229
153 5N5 0.518072 0.808219
154 YLP 0.517857 0.809524
155 EAD 0.512 0.886076
156 A4D 0.511905 0.808219
157 5CD 0.511905 0.794521
158 EP4 0.511628 0.74359
159 7D5 0.511364 0.866667
160 G5A 0.510204 0.770115
161 TYR AMP 0.504587 0.894737
162 YLC 0.504348 0.829268
163 YLB 0.504348 0.809524
164 NMN AMP PO4 0.504202 0.883117
165 NAD 0.504202 0.945205
166 BTX 0.504202 0.831325
167 6AD 0.5 0.897436
168 62F 0.5 0.875
169 P1H 0.496124 0.864198
170 A3D 0.495868 0.932432
171 IOT 0.495726 0.821429
172 LA8 ALF 3PG 0.495652 0.82716
173 ALF ADP 3PG 0.495652 0.82716
174 TSB 0.495146 0.809524
175 AV2 0.49505 0.905405
176 A5A 0.49505 0.797619
177 YLA 0.491525 0.809524
178 7MD 0.491071 0.851852
179 AVV 0.490385 0.884615
180 SSA 0.490196 0.790698
181 3AT 0.49 0.958333
182 6RE 0.48913 0.75
183 3DH 0.488889 0.763158
184 M2T 0.488636 0.725
185 DTA 0.488636 0.8
186 BT5 0.487603 0.821429
187 AYB 0.487395 0.8
188 TAD 0.486726 0.873418
189 AMP DBH 0.486486 0.906667
190 NSS 0.485714 0.790698
191 VMS 0.485437 0.77907
192 52H 0.485437 0.770115
193 54H 0.485437 0.77907
194 MTA 0.483146 0.763158
195 AHZ 0.482456 0.807229
196 53H 0.480769 0.770115
197 5CA 0.480769 0.790698
198 NAE 0.48 0.907895
199 N01 0.479675 0.918919
200 5X8 0.479592 0.753247
201 IMO 0.478723 0.916667
202 LPA AMP 0.478261 0.807229
203 NAQ 0.47619 0.884615
204 DCA 0.475806 0.813953
205 ETB 0.475806 0.823529
206 DTP 0.475248 0.893333
207 ZID 0.472441 0.932432
208 P5A 0.472222 0.736264
209 LSS 0.471698 0.752809
210 DSZ 0.471698 0.790698
211 AF3 ADP 3PG 0.470085 0.82716
212 ARG AMP 0.469565 0.819277
213 COA 0.468254 0.813953
214 0T1 0.468254 0.813953
215 NAJ PZO 0.467742 0.860759
216 ARU 0.46729 0.85
217 NVA LMS 0.46729 0.752809
218 G A A A 0.467213 0.884615
219 6FA 0.466667 0.853659
220 FB0 0.466165 0.795455
221 7MC 0.466102 0.831325
222 DAT 0.464646 0.893333
223 DZD 0.463415 0.897436
224 A3N 0.463158 0.776316
225 J7C 0.463158 0.759494
226 LEU LMS 0.462963 0.752809
227 ZAS 0.462366 0.75641
228 APU 0.462185 0.907895
229 NDE 0.462121 0.945946
230 M24 0.460317 0.8625
231 YLY 0.460317 0.8
232 PUA 0.460317 0.897436
233 7DT 0.46 0.971831
234 FAS 0.459854 0.864198
235 SFD 0.459854 0.744681
236 FAD 0.459854 0.864198
237 FDA 0.459259 0.845238
238 7DD 0.459184 0.971831
239 KAA 0.458716 0.744444
240 GSU 0.458716 0.770115
241 S4M 0.458333 0.659091
242 AMX 0.457364 0.823529
243 COS 0.457364 0.795455
244 30N 0.457364 0.744681
245 CAO 0.457364 0.786517
246 CMX 0.453846 0.813953
247 SCO 0.453846 0.813953
248 MAO 0.453608 0.75
249 NDO 0.453125 0.932432
250 DSH 0.452632 0.716049
251 YSA 0.451327 0.790698
252 CA6 0.451128 0.721649
253 APX 0.45045 0.896104
254 ACO 0.450382 0.786517
255 FCX 0.450382 0.786517
256 FAM 0.450382 0.795455
257 SFG 0.45 0.74026
258 N0B 0.449612 0.831325
259 NAD IBO 0.447154 0.883117
260 HAX 0.44697 0.795455
261 DDS 0.446602 0.866667
262 2MC 0.444444 0.76087
263 NDC 0.444444 0.884615
264 FAY 0.443662 0.875
265 3KK 0.443609 0.795455
266 FYN 0.443609 0.813953
267 4TA 0.443548 0.819277
268 GJV 0.443299 0.740741
269 RGT 0.442478 0.945946
270 IVC 0.441176 0.804598
271 SA8 0.441176 0.698795
272 RFL 0.440559 0.833333
273 SOP 0.440298 0.795455
274 COK 0.440298 0.795455
275 OXK 0.440298 0.795455
276 MCD 0.440298 0.795455
277 PGS 0.44 0.871795
278 U A G G 0.44 0.896104
279 71V 0.438776 0.896104
280 2SA 0.438095 0.92
281 A U 0.438017 0.883117
282 A3G 0.4375 0.789474
283 CMC 0.437037 0.795455
284 CO6 0.437037 0.795455
285 1VU 0.437037 0.786517
286 NMX 0.437037 0.752688
287 SAH 0.436893 0.734177
288 SAI 0.436893 0.725
289 6C6 0.436893 0.87013
290 FNK 0.43662 0.816092
291 A A A 0.436364 0.893333
292 4YB 0.435897 0.772727
293 5AD 0.435294 0.736111
294 GEK 0.435185 0.728395
295 S7M 0.433962 0.682353
296 SCD 0.433824 0.813953
297 CAJ 0.433824 0.795455
298 WSA 0.433333 0.8
299 6IA 0.432692 0.82716
300 Y3J 0.431818 0.716216
301 CA8 0.431655 0.739583
302 NAJ PYZ 0.430769 0.8625
303 MLC 0.430657 0.795455
304 BCO 0.430657 0.795455
305 3HC 0.430657 0.804598
306 1HE 0.430657 0.777778
307 A1S 0.430657 0.795455
308 7D7 0.430233 0.733333
309 A7D 0.43 0.766234
310 EEM 0.428571 0.682353
311 AAT 0.428571 0.698795
312 YE1 0.427536 0.825581
313 COO 0.427536 0.795455
314 MCA 0.427536 0.786517
315 CAA 0.427536 0.804598
316 N6P 0.427273 0.929577
317 A5D 0.427184 0.8
318 101 0.427083 0.866667
319 GGZ 0.425926 0.814815
320 MHZ 0.425743 0.689655
321 128 0.425 0.788235
322 MC4 0.42446 0.752688
323 2CP 0.42446 0.786517
324 SCA 0.42446 0.795455
325 NEC 0.42268 0.736842
326 DA 0.42268 0.866667
327 D5M 0.42268 0.866667
328 2KQ 0.421429 0.777778
329 COW 0.421429 0.806818
330 HGG 0.421429 0.795455
331 3CP 0.421429 0.795455
332 1GZ 0.421429 0.786517
333 IRC 0.421429 0.804598
334 COF 0.421429 0.777778
335 BYC 0.421429 0.816092
336 SMM 0.420561 0.678161
337 CO8 0.41958 0.777778
338 1CZ 0.41958 0.786517
339 S0N 0.41958 0.816092
340 SAM 0.419048 0.682353
341 7C5 0.418803 0.831169
342 BCA 0.41844 0.806818
343 FAQ 0.41844 0.816092
344 4CA 0.41844 0.806818
345 AAM 0.418367 0.957747
346 NHW 0.417808 0.777778
347 NHM 0.417808 0.777778
348 UOQ 0.417808 0.777778
349 MYA 0.416667 0.777778
350 ST9 0.416667 0.777778
351 DCC 0.416667 0.777778
352 5F9 0.416667 0.777778
353 UCC 0.416667 0.777778
354 AMP NAD 0.416667 0.894737
355 MFK 0.416667 0.777778
356 GPG 0.415929 0.922078
357 A3S 0.415842 0.8
358 GRA 0.415493 0.795455
359 HXC 0.415493 0.777778
360 C2R 0.414894 0.891892
361 AMZ 0.414894 0.90411
362 GDC 0.413793 0.897436
363 GKE 0.413793 0.897436
364 0ET 0.413793 0.777778
365 GDD 0.413793 0.897436
366 Z5A 0.413534 0.790698
367 P5F 0.413333 0.835294
368 GSP 0.412844 0.8625
369 TGC 0.412587 0.786517
370 U G A 0.411348 0.851852
371 K15 0.410714 0.674419
372 V1N 0.410256 0.931507
373 649 0.409836 0.755556
374 2NE 0.409722 0.797753
375 CIC 0.409722 0.795455
376 GP3 0.409524 0.934211
377 6K6 0.409091 0.917808
378 12D 0.408333 0.797619
379 HDC 0.408163 0.777778
380 F2N 0.407895 0.825581
381 A3T 0.407767 0.810811
382 2VA 0.407767 0.789474
383 GTP 0.407407 0.907895
384 0FQ 0.406897 0.816092
385 4CO 0.406897 0.806818
386 AIR 0.406593 0.888889
387 NIA 0.40625 0.8125
388 GDP 0.40566 0.907895
389 0UM 0.405405 0.690476
390 MRR 0.405405 0.777778
391 HFQ 0.405405 0.797753
392 MRS 0.405405 0.777778
393 FA9 0.405229 0.876543
394 01A 0.40411 0.78022
395 G1R 0.40367 0.896104
396 PAX 0.402985 0.841463
397 NAD BBN 0.402778 0.853659
398 YNC 0.402685 0.786517
399 DAK 0.402685 0.788889
400 GNH 0.401869 0.896104
401 62X 0.401786 0.659091
402 CS8 0.401361 0.769231
403 WCA 0.401361 0.797753
404 1CV 0.401361 0.795455
405 8Z2 0.4 0.769231
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found: 16
This union binding pocket(no: 1) in the query (biounit: 5dhu.bio1) has 55 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SJN DUP 0.04055 0.40415 1.17647
2 3B6C SDN 0.03486 0.4278 2.5641
3 1M2Z BOG 0.01657 0.46108 3.89105
4 3HCH RSM 0.03204 0.43257 4.10959
5 2D3Y DU 0.03479 0.44206 4.41176
6 1DJ9 KAM 0.0401 0.40726 4.77941
7 4OAS 2SW 0.02718 0.41911 5.20833
8 3KO0 TFP 0.02073 0.44449 5.94059
9 5FPE 3TR 0.01038 0.4641 6.25
10 3SAO DBH 0.03256 0.43022 6.875
11 5KAU RHQ 0.02012 0.4164 7.87879
12 2DUR MAN MAN 0.03876 0.41998 8.3004
13 3V2U ATP 0.03218 0.40114 10.2941
14 4LWU 20U 0.009015 0.44397 10.5882
15 3ZC7 ATP 0.03378 0.41418 11.1111
16 1LNX URI 0.04192 0.42585 37.037
Pocket No.: 2; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5dhu.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5dhu.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5dhu.bio1) has 55 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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