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: 453
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 AP5 0.753086 0.985915
12 ADP 0.753086 0.985915
13 SAP 0.75 0.933333
14 AGS 0.75 0.933333
15 HEJ 0.746988 0.985915
16 ATP 0.746988 0.985915
17 AN2 0.743902 0.972222
18 HQG 0.738636 0.972222
19 5FA 0.738095 0.985915
20 AQP 0.738095 0.985915
21 AR6 0.738095 0.958333
22 APR 0.738095 0.958333
23 AT4 0.722892 0.945946
24 M33 0.714286 0.945205
25 AD9 0.709302 0.958904
26 ACP 0.705882 0.958904
27 A 0.7 0.957747
28 AMP 0.7 0.957747
29 ADQ 0.695652 0.958904
30 ACQ 0.693182 0.958904
31 9X8 0.680851 0.907895
32 OAD 0.680851 0.932432
33 2AM 0.675 0.930556
34 CA0 0.674419 0.932432
35 ADX 0.674419 0.8625
36 ANP 0.674157 0.958904
37 6YZ 0.67033 0.958904
38 KG4 0.666667 0.932432
39 50T 0.666667 0.945205
40 NJP 0.663551 0.959459
41 A1R 0.659574 0.896104
42 A3R 0.659574 0.896104
43 ATF 0.659341 0.945946
44 PRX 0.659091 0.881579
45 45A 0.654762 0.905405
46 ABM 0.654762 0.905405
47 SRA 0.650602 0.906667
48 3OD 0.649485 0.932432
49 BIS 0.649485 0.921053
50 ODP 0.648148 0.922078
51 NDP 0.64486 0.934211
52 NPW 0.64486 0.898734
53 APC 0.640449 0.945946
54 AP2 0.639535 0.945946
55 A12 0.639535 0.945946
56 NZQ 0.638889 0.922078
57 TXP 0.638889 0.934211
58 T99 0.637363 0.945946
59 TAT 0.637363 0.945946
60 8LE 0.630435 0.883117
61 5AL 0.630435 0.918919
62 ADP MG 0.625 0.930556
63 00A 0.618557 0.896104
64 AU1 0.617977 0.958904
65 SRP 0.617021 0.894737
66 8LH 0.617021 0.894737
67 PAP 0.615385 0.971831
68 5SV 0.614583 0.8375
69 XNP 0.612613 0.886076
70 4AD 0.608247 0.907895
71 OMR 0.607477 0.841463
72 8LQ 0.604167 0.894737
73 NAI 0.598131 0.921053
74 NAX 0.598131 0.886076
75 OZV 0.597938 0.958333
76 8QN 0.597938 0.918919
77 OOB 0.597938 0.945205
78 APC MG 0.597826 0.905405
79 ATP MG 0.597826 0.930556
80 ADP PO3 0.597826 0.930556
81 ADV 0.597826 0.92
82 RBY 0.597826 0.92
83 AMO 0.591837 0.92
84 PAJ 0.591837 0.873418
85 AFH 0.590476 0.897436
86 48N 0.588785 0.884615
87 AP0 0.587156 0.909091
88 DLL 0.585859 0.945205
89 AHX 0.585859 0.884615
90 DQV 0.584906 0.972222
91 A3P 0.58427 0.957747
92 FYA 0.584158 0.918919
93 PTJ 0.584158 0.884615
94 1ZZ 0.584158 0.829268
95 TXD 0.583333 0.921053
96 6V0 0.583333 0.909091
97 LMS 0.581395 0.817073
98 G3A 0.580952 0.934211
99 ADP BMA 0.58 0.932432
100 3UK 0.58 0.932432
101 DG1 0.579832 0.934211
102 1DG 0.579832 0.934211
103 TXE 0.577982 0.921053
104 AR6 AR6 0.575472 0.931507
105 G5P 0.575472 0.934211
106 OVE 0.574713 0.893333
107 LAD 0.574257 0.85
108 PR8 0.574257 0.839506
109 B5V 0.574257 0.92
110 WAQ 0.574257 0.871795
111 ALF ADP 0.572917 0.858974
112 ADP ALF 0.572917 0.858974
113 9SN 0.572816 0.884615
114 UPA 0.572727 0.921053
115 SON 0.571429 0.92
116 NAP 0.571429 0.958904
117 MAP 0.571429 0.933333
118 GTA 0.570093 0.898734
119 2A5 0.569892 0.906667
120 3AM 0.569767 0.916667
121 ADN 0.56962 0.833333
122 XYA 0.56962 0.833333
123 RAB 0.56962 0.833333
124 NXX 0.568807 0.945946
125 UP5 0.568807 0.933333
126 DND 0.568807 0.945946
127 TXA 0.568627 0.92
128 NB8 0.568627 0.884615
129 ME8 0.568627 0.829268
130 V3L 0.568421 0.958333
131 GAP 0.568421 0.881579
132 VO4 ADP 0.56701 0.918919
133 ADP VO4 0.56701 0.918919
134 TAP 0.566667 0.921053
135 ITT 0.565217 0.930556
136 PO4 PO4 A A A A PO4 0.564356 0.916667
137 PPS 0.5625 0.8625
138 NA0 0.561983 0.945946
139 7L1 0.561983 0.786517
140 ADJ 0.557522 0.864198
141 139 0.557522 0.886076
142 DAL AMP 0.555556 0.893333
143 B5Y 0.552381 0.907895
144 FA5 0.552381 0.92
145 B5M 0.552381 0.907895
146 YAP 0.552381 0.907895
147 9ZA 0.55 0.896104
148 9ZD 0.55 0.896104
149 ENP 0.54902 0.906667
150 7D4 0.548387 0.893333
151 F2R 0.547826 0.853659
152 XAH 0.54717 0.829268
153 80F 0.547009 0.853659
154 4TC 0.544643 0.909091
155 A A 0.543689 0.958333
156 5AS 0.543478 0.770115
157 COD 0.543103 0.802326
158 0WD 0.543103 0.934211
159 4UV 0.542056 0.907895
160 A4P 0.539823 0.855422
161 CNA 0.53913 0.945946
162 7D3 0.538462 0.893333
163 ATP A 0.537736 0.944444
164 ATP A A A 0.537736 0.944444
165 LAQ 0.536364 0.829268
166 AOC 0.533333 0.810811
167 GA7 0.53211 0.92
168 4UU 0.53211 0.907895
169 T5A 0.530435 0.853659
170 CO7 0.527132 0.795455
171 4UW 0.526786 0.873418
172 JSQ 0.525773 0.933333
173 HFD 0.525773 0.933333
174 JB6 0.52381 0.896104
175 TYM 0.522124 0.92
176 MYR AMP 0.518868 0.807229
177 5N5 0.518072 0.808219
178 YLP 0.517857 0.809524
179 TYR AMP 0.513761 0.883117
180 EAD 0.512 0.886076
181 5CD 0.511905 0.794521
182 A4D 0.511905 0.808219
183 EP4 0.511628 0.74359
184 7D5 0.511364 0.866667
185 G5A 0.510204 0.770115
186 ARG AMP 0.504505 0.819277
187 YLB 0.504348 0.809524
188 YLC 0.504348 0.829268
189 NAD 0.504202 0.945205
190 BTX 0.504202 0.831325
191 NMN AMP PO4 0.504202 0.883117
192 6AD 0.5 0.897436
193 62F 0.5 0.875
194 P1H 0.496124 0.864198
195 A3D 0.495868 0.932432
196 IOT 0.495726 0.821429
197 TSB 0.495146 0.809524
198 A5A 0.49505 0.797619
199 AV2 0.49505 0.905405
200 H1Q 0.494845 0.891892
201 YLA 0.491525 0.809524
202 7MD 0.491071 0.851852
203 AVV 0.490385 0.884615
204 SSA 0.490196 0.790698
205 3AT 0.49 0.958333
206 6RE 0.48913 0.75
207 3DH 0.488889 0.763158
208 M2T 0.488636 0.725
209 DTA 0.488636 0.8
210 BT5 0.487603 0.821429
211 AYB 0.487395 0.8
212 TAD 0.486726 0.873418
213 AMP DBH 0.486486 0.906667
214 NSS 0.485714 0.790698
215 54H 0.485437 0.77907
216 NO7 0.485437 0.92
217 52H 0.485437 0.770115
218 VMS 0.485437 0.77907
219 MTA 0.483146 0.763158
220 AHZ 0.482456 0.807229
221 NVA LMS 0.481132 0.744444
222 5CA 0.480769 0.790698
223 53H 0.480769 0.770115
224 8X1 0.480769 0.744444
225 NAE 0.48 0.907895
226 N01 0.479675 0.918919
227 5X8 0.479592 0.753247
228 IMO 0.478723 0.916667
229 LPA AMP 0.478261 0.807229
230 LEU LMS 0.476636 0.744444
231 NAQ 0.47619 0.884615
232 DCA 0.475806 0.813953
233 ETB 0.475806 0.823529
234 DTP 0.475248 0.893333
235 6MZ 0.473684 0.917808
236 ZID 0.472441 0.932432
237 P5A 0.472222 0.736264
238 LSS 0.471698 0.752809
239 DSZ 0.471698 0.790698
240 9BG 0.471074 0.909091
241 AF3 ADP 3PG 0.470085 0.82716
242 0T1 0.468254 0.813953
243 COA 0.468254 0.813953
244 NAJ PZO 0.467742 0.860759
245 ARU 0.46729 0.85
246 G A A A 0.467213 0.884615
247 6FA 0.466667 0.853659
248 FB0 0.466165 0.795455
249 7MC 0.466102 0.831325
250 DAT 0.464646 0.893333
251 LQJ 0.464286 0.931507
252 B1U 0.464286 0.747253
253 DZD 0.463415 0.897436
254 J7C 0.463158 0.759494
255 A3N 0.463158 0.776316
256 ZAS 0.462366 0.75641
257 APU 0.462185 0.907895
258 NDE 0.462121 0.945946
259 M24 0.460317 0.8625
260 PUA 0.460317 0.897436
261 YLY 0.460317 0.8
262 7DT 0.46 0.971831
263 SFD 0.459854 0.744681
264 FAD 0.459854 0.864198
265 FAS 0.459854 0.864198
266 FDA 0.459259 0.845238
267 7DD 0.459184 0.971831
268 KAA 0.458716 0.744444
269 GSU 0.458716 0.770115
270 S4M 0.458333 0.659091
271 CAO 0.457364 0.786517
272 AMX 0.457364 0.823529
273 30N 0.457364 0.744681
274 COS 0.457364 0.795455
275 U A 0.456 0.921053
276 9K8 0.454545 0.725275
277 CMX 0.453846 0.813953
278 SCO 0.453846 0.813953
279 MAO 0.453608 0.75
280 NAJ PYZ 0.453125 0.819277
281 NDO 0.453125 0.932432
282 DSH 0.452632 0.716049
283 YSA 0.451327 0.790698
284 CA6 0.451128 0.721649
285 APX 0.45045 0.896104
286 FCX 0.450382 0.786517
287 ACO 0.450382 0.786517
288 FAM 0.450382 0.795455
289 SFG 0.45 0.74026
290 N0B 0.449612 0.831325
291 9JJ 0.448276 0.875
292 HAX 0.44697 0.795455
293 DDS 0.446602 0.866667
294 J4G 0.445455 0.907895
295 2MC 0.444444 0.76087
296 NDC 0.444444 0.884615
297 FAY 0.443662 0.875
298 FYN 0.443609 0.813953
299 3KK 0.443609 0.795455
300 A G 0.443548 0.896104
301 AMP NAD 0.443548 0.918919
302 4TA 0.443548 0.819277
303 GJV 0.443299 0.740741
304 8PZ 0.442478 0.811765
305 RGT 0.442478 0.945946
306 IVC 0.441176 0.804598
307 SA8 0.441176 0.698795
308 RFL 0.440559 0.833333
309 SOP 0.440298 0.795455
310 COK 0.440298 0.795455
311 KGP 0.440298 0.721649
312 MCD 0.440298 0.795455
313 YZS 0.440298 0.721649
314 OXK 0.440298 0.795455
315 PGS 0.44 0.871795
316 U A G G 0.44 0.896104
317 71V 0.438776 0.896104
318 2SA 0.438095 0.92
319 A U 0.438017 0.883117
320 A3G 0.4375 0.789474
321 CO6 0.437037 0.795455
322 1VU 0.437037 0.786517
323 NMX 0.437037 0.752688
324 CMC 0.437037 0.795455
325 SAI 0.436893 0.725
326 SAH 0.436893 0.734177
327 6C6 0.436893 0.87013
328 FNK 0.43662 0.816092
329 A A A 0.436364 0.893333
330 4YB 0.435897 0.772727
331 5AD 0.435294 0.736111
332 GEK 0.435185 0.728395
333 S7M 0.433962 0.682353
334 SCD 0.433824 0.813953
335 CAJ 0.433824 0.795455
336 WSA 0.433333 0.8
337 6IA 0.432692 0.82716
338 Y3J 0.431818 0.716216
339 KGA 0.431655 0.736842
340 CA8 0.431655 0.739583
341 3HC 0.430657 0.804598
342 1HE 0.430657 0.777778
343 A1S 0.430657 0.795455
344 BCO 0.430657 0.795455
345 MLC 0.430657 0.795455
346 KGJ 0.430657 0.744681
347 7D7 0.430233 0.733333
348 A7D 0.43 0.766234
349 AAT 0.428571 0.698795
350 EEM 0.428571 0.682353
351 YE1 0.427536 0.825581
352 LCV 0.427536 0.714286
353 CAA 0.427536 0.804598
354 SO5 0.427536 0.714286
355 MCA 0.427536 0.786517
356 COO 0.427536 0.795455
357 N6P 0.427273 0.929577
358 NVA 2AD 0.427184 0.75
359 A5D 0.427184 0.8
360 101 0.427083 0.866667
361 GGZ 0.425926 0.814815
362 MHZ 0.425743 0.689655
363 128 0.425 0.788235
364 YXR 0.42446 0.721649
365 2CP 0.42446 0.786517
366 YXS 0.42446 0.721649
367 MC4 0.42446 0.752688
368 SCA 0.42446 0.795455
369 NEC 0.42268 0.736842
370 DA 0.42268 0.866667
371 D5M 0.42268 0.866667
372 COW 0.421429 0.806818
373 1GZ 0.421429 0.786517
374 COF 0.421429 0.777778
375 KFV 0.421429 0.729167
376 IRC 0.421429 0.804598
377 HGG 0.421429 0.795455
378 3CP 0.421429 0.795455
379 BYC 0.421429 0.816092
380 2KQ 0.421429 0.777778
381 SMM 0.420561 0.678161
382 S0N 0.41958 0.816092
383 1CZ 0.41958 0.786517
384 CO8 0.41958 0.777778
385 SAM 0.419048 0.682353
386 7C5 0.418803 0.831169
387 FAQ 0.41844 0.816092
388 BCA 0.41844 0.806818
389 4CA 0.41844 0.806818
390 AAM 0.418367 0.957747
391 NHM 0.417808 0.777778
392 UOQ 0.417808 0.777778
393 NHW 0.417808 0.777778
394 ST9 0.416667 0.777778
395 KOY 0.416667 0.815789
396 5F9 0.416667 0.777778
397 DCC 0.416667 0.777778
398 UCC 0.416667 0.777778
399 MYA 0.416667 0.777778
400 MFK 0.416667 0.777778
401 GPG 0.415929 0.922078
402 A3S 0.415842 0.8
403 GRA 0.415493 0.795455
404 HXC 0.415493 0.777778
405 C2R 0.414894 0.891892
406 AMZ 0.414894 0.90411
407 GDC 0.413793 0.897436
408 GDD 0.413793 0.897436
409 0ET 0.413793 0.777778
410 GKE 0.413793 0.897436
411 Z5A 0.413534 0.790698
412 P5F 0.413333 0.835294
413 GSP 0.412844 0.8625
414 TGC 0.412587 0.786517
415 A C A C 0.410853 0.860759
416 K15 0.410714 0.674419
417 V1N 0.410256 0.931507
418 649 0.409836 0.755556
419 N9V 0.409722 0.786517
420 2NE 0.409722 0.797753
421 CIC 0.409722 0.795455
422 GP3 0.409524 0.934211
423 6K6 0.409091 0.917808
424 12D 0.408333 0.797619
425 HDC 0.408163 0.777778
426 F2N 0.407895 0.825581
427 2VA 0.407767 0.789474
428 A3T 0.407767 0.810811
429 GTP 0.407407 0.907895
430 4CO 0.406897 0.806818
431 0FQ 0.406897 0.816092
432 AIR 0.406593 0.888889
433 8Q2 0.406504 0.784091
434 NIA 0.40625 0.8125
435 GDP 0.40566 0.907895
436 HFQ 0.405405 0.797753
437 MRS 0.405405 0.777778
438 MRR 0.405405 0.777778
439 0UM 0.405405 0.690476
440 FA9 0.405229 0.876543
441 01A 0.40411 0.78022
442 G1R 0.40367 0.896104
443 PAX 0.402985 0.841463
444 DAK 0.402685 0.788889
445 J5H 0.402685 0.816092
446 YNC 0.402685 0.786517
447 GNH 0.401869 0.896104
448 62X 0.401786 0.659091
449 WCA 0.401361 0.797753
450 1CV 0.401361 0.795455
451 CS8 0.401361 0.769231
452 8Z2 0.4 0.769231
453 EO7 0.4 0.77907
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5dhu.bio1) has 55 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: 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 Sequence Similarity
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