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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: 422
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 A2P 0.7625 0.943662
8 BA3 0.7625 0.985915
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 AGS 0.75 0.933333
14 SAP 0.75 0.933333
15 ATP 0.746988 0.985915
16 HEJ 0.746988 0.985915
17 AN2 0.743902 0.972222
18 APR 0.738095 0.958333
19 AR6 0.738095 0.958333
20 5FA 0.738095 0.985915
21 AQP 0.738095 0.985915
22 AT4 0.722892 0.945946
23 M33 0.714286 0.945205
24 AD9 0.709302 0.958904
25 ACP 0.705882 0.958904
26 AMP 0.7 0.957747
27 A 0.7 0.957747
28 ADQ 0.695652 0.958904
29 ACQ 0.693182 0.958904
30 OAD 0.680851 0.932432
31 9X8 0.680851 0.907895
32 2AM 0.675 0.930556
33 CA0 0.674419 0.932432
34 ADX 0.674419 0.8625
35 ANP 0.674157 0.958904
36 6YZ 0.67033 0.958904
37 50T 0.666667 0.945205
38 NJP 0.663551 0.959459
39 A1R 0.659574 0.896104
40 A3R 0.659574 0.896104
41 ATF 0.659341 0.945946
42 PRX 0.659091 0.881579
43 ABM 0.654762 0.905405
44 SRA 0.650602 0.906667
45 3OD 0.649485 0.932432
46 BIS 0.649485 0.921053
47 ODP 0.648148 0.922078
48 NDP 0.64486 0.934211
49 NPW 0.64486 0.898734
50 APC 0.640449 0.945946
51 AP2 0.639535 0.945946
52 A12 0.639535 0.945946
53 TXP 0.638889 0.934211
54 NZQ 0.638889 0.922078
55 T99 0.637363 0.945946
56 TAT 0.637363 0.945946
57 5AL 0.630435 0.918919
58 00A 0.618557 0.896104
59 AU1 0.617977 0.958904
60 SRP 0.617021 0.894737
61 PAP 0.615385 0.971831
62 5SV 0.614583 0.8375
63 XNP 0.612613 0.886076
64 4AD 0.608247 0.907895
65 OMR 0.607477 0.841463
66 NAI 0.598131 0.921053
67 NAX 0.598131 0.886076
68 OOB 0.597938 0.945205
69 8QN 0.597938 0.918919
70 ADP PO3 0.597826 0.930556
71 RBY 0.597826 0.92
72 ADV 0.597826 0.92
73 AMO 0.591837 0.92
74 PAJ 0.591837 0.873418
75 AFH 0.590476 0.897436
76 48N 0.588785 0.884615
77 AP0 0.587156 0.909091
78 AHX 0.585859 0.884615
79 DLL 0.585859 0.945205
80 DQV 0.584906 0.972222
81 A3P 0.58427 0.957747
82 1ZZ 0.584158 0.829268
83 FYA 0.584158 0.918919
84 PTJ 0.584158 0.884615
85 TXD 0.583333 0.921053
86 6V0 0.583333 0.909091
87 LMS 0.581395 0.817073
88 G3A 0.580952 0.934211
89 3UK 0.58 0.932432
90 ADP BMA 0.58 0.932432
91 DG1 0.579832 0.934211
92 1DG 0.579832 0.934211
93 TXE 0.577982 0.921053
94 AR6 AR6 0.575472 0.931507
95 G5P 0.575472 0.934211
96 OVE 0.574713 0.893333
97 B5V 0.574257 0.92
98 WAQ 0.574257 0.871795
99 LAD 0.574257 0.85
100 PR8 0.574257 0.839506
101 ALF ADP 0.572917 0.858974
102 ADP ALF 0.572917 0.858974
103 9SN 0.572816 0.884615
104 UPA 0.572727 0.921053
105 NAP 0.571429 0.958904
106 SON 0.571429 0.92
107 MAP 0.571429 0.933333
108 GTA 0.570093 0.898734
109 2A5 0.569892 0.906667
110 3AM 0.569767 0.916667
111 ADN 0.56962 0.833333
112 XYA 0.56962 0.833333
113 RAB 0.56962 0.833333
114 UP5 0.568807 0.933333
115 DND 0.568807 0.945946
116 NXX 0.568807 0.945946
117 NB8 0.568627 0.884615
118 TXA 0.568627 0.92
119 ME8 0.568627 0.829268
120 GAP 0.568421 0.881579
121 V3L 0.568421 0.958333
122 ADP VO4 0.56701 0.918919
123 VO4 ADP 0.56701 0.918919
124 TAP 0.566667 0.921053
125 ITT 0.565217 0.930556
126 PO4 PO4 A A A A PO4 0.564356 0.916667
127 PPS 0.5625 0.8625
128 NA0 0.561983 0.945946
129 7L1 0.561983 0.786517
130 ADJ 0.557522 0.864198
131 139 0.557522 0.886076
132 DAL AMP 0.555556 0.893333
133 B5Y 0.552381 0.907895
134 B5M 0.552381 0.907895
135 YAP 0.552381 0.907895
136 FA5 0.552381 0.92
137 9ZA 0.55 0.896104
138 9ZD 0.55 0.896104
139 ENP 0.54902 0.906667
140 7D4 0.548387 0.893333
141 F2R 0.547826 0.853659
142 XAH 0.54717 0.829268
143 80F 0.547009 0.853659
144 4TC 0.544643 0.909091
145 A A 0.543689 0.958333
146 5AS 0.543478 0.770115
147 COD 0.543103 0.802326
148 0WD 0.543103 0.934211
149 4UV 0.542056 0.907895
150 A4P 0.539823 0.855422
151 CNA 0.53913 0.945946
152 7D3 0.538462 0.893333
153 ATP A A A 0.537736 0.944444
154 LAQ 0.536364 0.829268
155 AOC 0.533333 0.810811
156 4UU 0.53211 0.907895
157 GA7 0.53211 0.92
158 T5A 0.530435 0.853659
159 CO7 0.527132 0.795455
160 4UW 0.526786 0.873418
161 HFD 0.525773 0.933333
162 JB6 0.52381 0.896104
163 TYM 0.522124 0.92
164 MYR AMP 0.518868 0.807229
165 5N5 0.518072 0.808219
166 YLP 0.517857 0.809524
167 TYR AMP 0.513761 0.883117
168 EAD 0.512 0.886076
169 A4D 0.511905 0.808219
170 5CD 0.511905 0.794521
171 EP4 0.511628 0.74359
172 7D5 0.511364 0.866667
173 G5A 0.510204 0.770115
174 ARG AMP 0.504505 0.819277
175 YLB 0.504348 0.809524
176 YLC 0.504348 0.829268
177 NAD 0.504202 0.945205
178 BTX 0.504202 0.831325
179 NMN AMP PO4 0.504202 0.883117
180 62F 0.5 0.875
181 6AD 0.5 0.897436
182 P1H 0.496124 0.864198
183 A3D 0.495868 0.932432
184 IOT 0.495726 0.821429
185 TSB 0.495146 0.809524
186 A5A 0.49505 0.797619
187 AV2 0.49505 0.905405
188 YLA 0.491525 0.809524
189 7MD 0.491071 0.851852
190 AVV 0.490385 0.884615
191 SSA 0.490196 0.790698
192 3AT 0.49 0.958333
193 6RE 0.48913 0.75
194 3DH 0.488889 0.763158
195 DTA 0.488636 0.8
196 M2T 0.488636 0.725
197 BT5 0.487603 0.821429
198 AYB 0.487395 0.8
199 TAD 0.486726 0.873418
200 AMP DBH 0.486486 0.906667
201 NSS 0.485714 0.790698
202 52H 0.485437 0.770115
203 VMS 0.485437 0.77907
204 54H 0.485437 0.77907
205 MTA 0.483146 0.763158
206 AHZ 0.482456 0.807229
207 NVA LMS 0.481132 0.744444
208 5CA 0.480769 0.790698
209 53H 0.480769 0.770115
210 8X1 0.480769 0.744444
211 NAE 0.48 0.907895
212 N01 0.479675 0.918919
213 5X8 0.479592 0.753247
214 IMO 0.478723 0.916667
215 LPA AMP 0.478261 0.807229
216 LEU LMS 0.476636 0.744444
217 NAQ 0.47619 0.884615
218 ETB 0.475806 0.823529
219 DCA 0.475806 0.813953
220 DTP 0.475248 0.893333
221 ZID 0.472441 0.932432
222 P5A 0.472222 0.736264
223 LSS 0.471698 0.752809
224 DSZ 0.471698 0.790698
225 AF3 ADP 3PG 0.470085 0.82716
226 0T1 0.468254 0.813953
227 COA 0.468254 0.813953
228 NAJ PZO 0.467742 0.860759
229 ARU 0.46729 0.85
230 G A A A 0.467213 0.884615
231 6FA 0.466667 0.853659
232 FB0 0.466165 0.795455
233 7MC 0.466102 0.831325
234 DAT 0.464646 0.893333
235 DZD 0.463415 0.897436
236 A3N 0.463158 0.776316
237 J7C 0.463158 0.759494
238 ZAS 0.462366 0.75641
239 APU 0.462185 0.907895
240 NDE 0.462121 0.945946
241 YLY 0.460317 0.8
242 M24 0.460317 0.8625
243 PUA 0.460317 0.897436
244 7DT 0.46 0.971831
245 SFD 0.459854 0.744681
246 FAS 0.459854 0.864198
247 FAD 0.459854 0.864198
248 FDA 0.459259 0.845238
249 7DD 0.459184 0.971831
250 GSU 0.458716 0.770115
251 KAA 0.458716 0.744444
252 S4M 0.458333 0.659091
253 CAO 0.457364 0.786517
254 COS 0.457364 0.795455
255 30N 0.457364 0.744681
256 AMX 0.457364 0.823529
257 U A 0.456 0.921053
258 9K8 0.454545 0.725275
259 CMX 0.453846 0.813953
260 SCO 0.453846 0.813953
261 MAO 0.453608 0.75
262 NAJ PYZ 0.453125 0.819277
263 NDO 0.453125 0.932432
264 DSH 0.452632 0.716049
265 YSA 0.451327 0.790698
266 CA6 0.451128 0.721649
267 APX 0.45045 0.896104
268 ACO 0.450382 0.786517
269 FCX 0.450382 0.786517
270 FAM 0.450382 0.795455
271 SFG 0.45 0.74026
272 N0B 0.449612 0.831325
273 9JJ 0.448276 0.875
274 HAX 0.44697 0.795455
275 DDS 0.446602 0.866667
276 2MC 0.444444 0.76087
277 NDC 0.444444 0.884615
278 FAY 0.443662 0.875
279 3KK 0.443609 0.795455
280 FYN 0.443609 0.813953
281 A G 0.443548 0.896104
282 AMP NAD 0.443548 0.918919
283 4TA 0.443548 0.819277
284 GJV 0.443299 0.740741
285 8PZ 0.442478 0.811765
286 RGT 0.442478 0.945946
287 SA8 0.441176 0.698795
288 IVC 0.441176 0.804598
289 RFL 0.440559 0.833333
290 OXK 0.440298 0.795455
291 SOP 0.440298 0.795455
292 MCD 0.440298 0.795455
293 COK 0.440298 0.795455
294 U A G G 0.44 0.896104
295 PGS 0.44 0.871795
296 71V 0.438776 0.896104
297 2SA 0.438095 0.92
298 A U 0.438017 0.883117
299 A3G 0.4375 0.789474
300 NMX 0.437037 0.752688
301 1VU 0.437037 0.786517
302 CMC 0.437037 0.795455
303 CO6 0.437037 0.795455
304 SAH 0.436893 0.734177
305 6C6 0.436893 0.87013
306 SAI 0.436893 0.725
307 FNK 0.43662 0.816092
308 A A A 0.436364 0.893333
309 4YB 0.435897 0.772727
310 5AD 0.435294 0.736111
311 GEK 0.435185 0.728395
312 S7M 0.433962 0.682353
313 SCD 0.433824 0.813953
314 CAJ 0.433824 0.795455
315 WSA 0.433333 0.8
316 6IA 0.432692 0.82716
317 Y3J 0.431818 0.716216
318 CA8 0.431655 0.739583
319 BCO 0.430657 0.795455
320 1HE 0.430657 0.777778
321 3HC 0.430657 0.804598
322 MLC 0.430657 0.795455
323 A1S 0.430657 0.795455
324 7D7 0.430233 0.733333
325 A7D 0.43 0.766234
326 EEM 0.428571 0.682353
327 AAT 0.428571 0.698795
328 CAA 0.427536 0.804598
329 COO 0.427536 0.795455
330 YE1 0.427536 0.825581
331 MCA 0.427536 0.786517
332 N6P 0.427273 0.929577
333 A5D 0.427184 0.8
334 NVA 2AD 0.427184 0.75
335 101 0.427083 0.866667
336 GGZ 0.425926 0.814815
337 MHZ 0.425743 0.689655
338 128 0.425 0.788235
339 SCA 0.42446 0.795455
340 2CP 0.42446 0.786517
341 MC4 0.42446 0.752688
342 DA 0.42268 0.866667
343 D5M 0.42268 0.866667
344 NEC 0.42268 0.736842
345 COW 0.421429 0.806818
346 1GZ 0.421429 0.786517
347 HGG 0.421429 0.795455
348 2KQ 0.421429 0.777778
349 3CP 0.421429 0.795455
350 IRC 0.421429 0.804598
351 COF 0.421429 0.777778
352 BYC 0.421429 0.816092
353 SMM 0.420561 0.678161
354 S0N 0.41958 0.816092
355 CO8 0.41958 0.777778
356 1CZ 0.41958 0.786517
357 SAM 0.419048 0.682353
358 7C5 0.418803 0.831169
359 BCA 0.41844 0.806818
360 4CA 0.41844 0.806818
361 FAQ 0.41844 0.816092
362 AAM 0.418367 0.957747
363 NHW 0.417808 0.777778
364 NHM 0.417808 0.777778
365 UOQ 0.417808 0.777778
366 MFK 0.416667 0.777778
367 5F9 0.416667 0.777778
368 ST9 0.416667 0.777778
369 MYA 0.416667 0.777778
370 DCC 0.416667 0.777778
371 UCC 0.416667 0.777778
372 GPG 0.415929 0.922078
373 A3S 0.415842 0.8
374 HXC 0.415493 0.777778
375 GRA 0.415493 0.795455
376 AMZ 0.414894 0.90411
377 C2R 0.414894 0.891892
378 0ET 0.413793 0.777778
379 GDC 0.413793 0.897436
380 GDD 0.413793 0.897436
381 GKE 0.413793 0.897436
382 Z5A 0.413534 0.790698
383 P5F 0.413333 0.835294
384 GSP 0.412844 0.8625
385 TGC 0.412587 0.786517
386 A C A C 0.410853 0.860759
387 K15 0.410714 0.674419
388 V1N 0.410256 0.931507
389 649 0.409836 0.755556
390 CIC 0.409722 0.795455
391 2NE 0.409722 0.797753
392 GP3 0.409524 0.934211
393 6K6 0.409091 0.917808
394 12D 0.408333 0.797619
395 HDC 0.408163 0.777778
396 F2N 0.407895 0.825581
397 A3T 0.407767 0.810811
398 2VA 0.407767 0.789474
399 GTP 0.407407 0.907895
400 0FQ 0.406897 0.816092
401 4CO 0.406897 0.806818
402 AIR 0.406593 0.888889
403 8Q2 0.406504 0.784091
404 NIA 0.40625 0.8125
405 GDP 0.40566 0.907895
406 HFQ 0.405405 0.797753
407 MRS 0.405405 0.777778
408 MRR 0.405405 0.777778
409 0UM 0.405405 0.690476
410 FA9 0.405229 0.876543
411 01A 0.40411 0.78022
412 G1R 0.40367 0.896104
413 PAX 0.402985 0.841463
414 DAK 0.402685 0.788889
415 YNC 0.402685 0.786517
416 GNH 0.401869 0.896104
417 62X 0.401786 0.659091
418 1CV 0.401361 0.795455
419 WCA 0.401361 0.797753
420 CS8 0.401361 0.769231
421 EO7 0.4 0.77907
422 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 with APoc: 34
This union binding pocket(no: 1) in the query (biounit: 5dhu.bio1) has 55 residues
No: Leader PDB Ligand Sequence Similarity
1 6C74 PC None
2 3ZW2 NAG GAL FUC None
3 1SJN DUP 1.17647
4 6BMS POV 1.83824
5 6BR8 6OU 2.20588
6 3B6C SDN 2.5641
7 4WBD CIT 3.67647
8 1V2A GTS 3.80952
9 1M2Z BOG 3.89105
10 5TQZ GLC 4
11 3HCH RSM 4.10959
12 4NTO 1PW 4.34783
13 2D3Y DU 4.41176
14 4CSD MFU 4.41176
15 5YLF BGC 4.77941
16 1DJ9 KAM 4.77941
17 4OAS 2SW 5.20833
18 2VAR ANP 5.51471
19 2Z3U CRR 5.88235
20 1PFK ADP 5.88235
21 3KO0 TFP 5.94059
22 3W6X HZP 6.11354
23 5FPE 3TR 6.25
24 3SAO DBH 6.875
25 2DUR MAN MAN 8.3004
26 6FA4 D1W 8.67052
27 5TXR PLP 9.55882
28 3V2U ATP 10.2941
29 3SE5 ANP 10.3659
30 4LWU 20U 10.5882
31 3ZC7 ATP 11.1111
32 2VL1 GLY GLY 11.3971
33 4G86 BNT 12.8676
34 1LNX URI 37.037
Pocket No.: 2; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: 6
This union binding pocket(no: 2) in the query (biounit: 5dhu.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2PNC CLU 2.94118
2 3ZO7 K6H 7.44681
3 2WR9 MAN MAN 7.8125
4 4OHU NAD 8.08823
5 4OHU 2TK 8.08823
6 1APZ ASP 8.51064
Pocket No.: 3; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: 8
This union binding pocket(no: 3) in the query (biounit: 5dhu.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 4Z87 GDP 2.20588
3 5T2U NAP 2.41935
4 3VZS CAA 3.11284
5 3VZS NAP 3.11284
6 4GID 0GH 4.77941
7 2B6N ALA PRO THR 5.39568
8 5A5W GUO 10.2767
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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