Receptor
PDB id Resolution Class Description Source Keywords
2I2D 2.22 Å EC: 2.7.1.23 CRYSTAL STRUCTURE OF LMNADK1 LISTERIA MONOCYTOGENES CRYSTAL STRUCTURE OF LMNADK1 BOUND TO A NAD ANALOG TRANSFER
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
A2D A:273;
 Valid;
 none;
 submit data
676.427 C20 H26 N10 O13 P2 c1nc(...
CIT A:274;
 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: A2D; Similar ligands found: 503
No: Ligand ECFP6 Tc MDL keys Tc
1 A2D 1 1
2 BA3 0.938462 1
3 B4P 0.924242 1
4 AP5 0.924242 1
5 APR 0.898551 0.971831
6 AR6 0.898551 0.971831
7 ADP 0.895522 0.971831
8 HEJ 0.884058 0.971831
9 ATP 0.884058 0.971831
10 AN2 0.882353 0.958333
11 AT4 0.882353 0.932432
12 AQP 0.871429 0.971831
13 5FA 0.871429 0.971831
14 M33 0.869565 0.958333
15 AGS 0.859155 0.92
16 AD9 0.859155 0.945205
17 SAP 0.859155 0.92
18 ACP 0.857143 0.945205
19 A 0.833333 0.943662
20 AMP 0.833333 0.943662
21 ADX 0.816901 0.873418
22 CA0 0.816901 0.945205
23 HQG 0.815789 0.958333
24 ACQ 0.810811 0.945205
25 ANP 0.810811 0.945205
26 50T 0.805556 0.931507
27 KG4 0.805556 0.945205
28 A22 0.805195 0.985915
29 45A 0.797101 0.917808
30 ABM 0.797101 0.917808
31 PRX 0.794521 0.893333
32 ATF 0.789474 0.932432
33 A3R 0.78481 0.907895
34 A1R 0.78481 0.907895
35 6YZ 0.779221 0.945205
36 AP2 0.774648 0.932432
37 A12 0.774648 0.932432
38 SRA 0.768116 0.893333
39 OAD 0.765432 0.945205
40 9X8 0.765432 0.92
41 ADQ 0.7625 0.972222
42 ADP MG 0.753425 0.943662
43 5AL 0.753247 0.931507
44 8LE 0.753247 0.894737
45 3OD 0.746988 0.945205
46 APC 0.746667 0.932432
47 AU1 0.743243 0.945205
48 T99 0.74026 0.932432
49 TAT 0.74026 0.932432
50 8LH 0.734177 0.906667
51 SRP 0.734177 0.906667
52 BIS 0.72619 0.907895
53 4AD 0.719512 0.92
54 25L 0.717647 0.985915
55 8LQ 0.716049 0.906667
56 ADP PO3 0.714286 0.943662
57 APC MG 0.714286 0.917808
58 RBY 0.714286 0.932432
59 ADV 0.714286 0.932432
60 ATP MG 0.714286 0.943662
61 00A 0.710843 0.907895
62 8QN 0.707317 0.931507
63 OOB 0.707317 0.958333
64 5SV 0.707317 0.848101
65 OZV 0.707317 0.971831
66 25A 0.707317 0.971831
67 PAJ 0.698795 0.884615
68 AMO 0.698795 0.932432
69 AHX 0.690476 0.896104
70 DLL 0.690476 0.958333
71 SON 0.684211 0.906667
72 3UK 0.682353 0.945205
73 DQV 0.681319 0.985915
74 LMS 0.680556 0.82716
75 ADP ALF 0.679012 0.87013
76 ALF ADP 0.679012 0.87013
77 G3A 0.677778 0.921053
78 GAP 0.675 0.893333
79 MAP 0.674699 0.92
80 WAQ 0.674419 0.883117
81 PR8 0.674419 0.85
82 LAD 0.674419 0.860759
83 B5V 0.674419 0.932432
84 VO4 ADP 0.670732 0.931507
85 ADP VO4 0.670732 0.931507
86 G5P 0.67033 0.921053
87 AFH 0.67033 0.909091
88 FYA 0.666667 0.931507
89 ME8 0.666667 0.839506
90 NB8 0.666667 0.896104
91 TXA 0.666667 0.932432
92 1ZZ 0.666667 0.839506
93 PTJ 0.666667 0.871795
94 48N 0.666667 0.896104
95 GTA 0.663043 0.886076
96 NAI 0.659574 0.933333
97 NAX 0.659574 0.897436
98 DND 0.659574 0.958904
99 6V0 0.659574 0.921053
100 TXD 0.659574 0.933333
101 NXX 0.659574 0.958904
102 DAL AMP 0.654762 0.905405
103 TXE 0.652632 0.933333
104 OMR 0.652632 0.851852
105 9SN 0.651685 0.896104
106 RAB 0.651515 0.84507
107 ADN 0.651515 0.84507
108 XYA 0.651515 0.84507
109 9ZD 0.647059 0.883117
110 9ZA 0.647059 0.883117
111 AP0 0.645833 0.921053
112 FA5 0.644444 0.932432
113 YAP 0.644444 0.92
114 B5Y 0.644444 0.92
115 B5M 0.644444 0.92
116 A2R 0.642857 0.958333
117 UP5 0.642105 0.945946
118 AOC 0.64 0.821918
119 2A5 0.6375 0.893333
120 XAH 0.637363 0.839506
121 7D4 0.632911 0.88
122 ITT 0.632911 0.916667
123 5N5 0.632353 0.819444
124 4UV 0.630435 0.92
125 ATR 0.62963 0.943662
126 PAP 0.62963 0.957747
127 5AS 0.628205 0.77907
128 ADJ 0.626263 0.875
129 ADP BMA 0.625 0.945205
130 7D3 0.623377 0.88
131 A4D 0.623188 0.819444
132 5CD 0.623188 0.805556
133 A4P 0.622449 0.843373
134 CNA 0.62 0.958904
135 EP4 0.619718 0.753247
136 4UU 0.617021 0.92
137 GA7 0.617021 0.932432
138 F2R 0.613861 0.841463
139 4TC 0.612245 0.921053
140 139 0.61 0.897436
141 T5A 0.61 0.864198
142 COD 0.607843 0.811765
143 LAQ 0.604167 0.839506
144 JSQ 0.60241 0.92
145 HFD 0.60241 0.92
146 A A 0.6 0.944444
147 YLP 0.597938 0.819277
148 80F 0.596154 0.864198
149 A3P 0.594937 0.943662
150 7D5 0.594595 0.853333
151 JB6 0.593407 0.907895
152 4UW 0.591837 0.884615
153 ATP A 0.591398 0.957747
154 ATP A A A 0.591398 0.957747
155 M2T 0.589041 0.734177
156 DTA 0.589041 0.810811
157 NA7 0.588889 0.932432
158 MYR AMP 0.586957 0.817073
159 3DH 0.586667 0.773333
160 TYM 0.585859 0.932432
161 H1Q 0.585366 0.90411
162 G5A 0.583333 0.77907
163 MTA 0.581081 0.773333
164 YLC 0.58 0.839506
165 UPA 0.58 0.933333
166 YLB 0.58 0.819277
167 TYR AMP 0.578947 0.894737
168 3AM 0.578947 0.902778
169 NAD 0.576923 0.958333
170 A2P 0.575 0.929577
171 AVV 0.573034 0.896104
172 6AD 0.569767 0.884615
173 PPS 0.569767 0.85
174 IOT 0.568627 0.809524
175 AR6 AR6 0.56701 0.944444
176 ARG AMP 0.56701 0.807229
177 A3D 0.566038 0.945205
178 6RE 0.564103 0.7375
179 A5A 0.563218 0.807229
180 YLA 0.563107 0.819277
181 AMP DBH 0.5625 0.918919
182 BTX 0.561905 0.819277
183 TSB 0.561798 0.819277
184 TAD 0.561224 0.884615
185 3AT 0.55814 0.944444
186 AYB 0.557692 0.809524
187 SSA 0.556818 0.8
188 BT5 0.556604 0.809524
189 AHZ 0.555556 0.817073
190 EAD 0.553571 0.897436
191 ZAS 0.551282 0.766234
192 7MD 0.55102 0.8625
193 54H 0.550562 0.788235
194 NO7 0.550562 0.906667
195 52H 0.550562 0.77907
196 VMS 0.550562 0.788235
197 IMO 0.55 0.902778
198 J7C 0.55 0.746835
199 A3N 0.55 0.786667
200 NSS 0.549451 0.8
201 NAE 0.545455 0.92
202 2AM 0.545455 0.916667
203 AV2 0.545455 0.891892
204 5CA 0.544444 0.8
205 8X1 0.544444 0.752809
206 53H 0.544444 0.77907
207 NVA LMS 0.543478 0.752809
208 ARU 0.543478 0.8375
209 6MZ 0.54321 0.90411
210 S4M 0.54321 0.666667
211 NAQ 0.540541 0.896104
212 V3L 0.54023 0.944444
213 DTP 0.54023 0.88
214 AF3 ADP 3PG 0.539216 0.8375
215 LEU LMS 0.537634 0.752809
216 DSH 0.5375 0.725
217 MAO 0.536585 0.759036
218 ZID 0.535714 0.945205
219 LPA AMP 0.534653 0.817073
220 P1H 0.534483 0.875
221 LSS 0.532609 0.761364
222 DSZ 0.532609 0.8
223 P5A 0.531915 0.744444
224 DAT 0.529412 0.88
225 5X8 0.529412 0.763158
226 5AD 0.528571 0.746479
227 DZD 0.527778 0.909091
228 9K8 0.526316 0.733333
229 FB0 0.525424 0.784091
230 OVE 0.525 0.88
231 GJV 0.52439 0.728395
232 NJP 0.523364 0.945946
233 M24 0.522523 0.873418
234 YLY 0.522523 0.809524
235 7MC 0.519231 0.841463
236 0WD 0.518519 0.921053
237 NAJ PZO 0.518182 0.871795
238 FDA 0.516667 0.833333
239 GSU 0.515789 0.77907
240 KAA 0.515789 0.752809
241 6FA 0.512397 0.864198
242 SFG 0.511628 0.75
243 ODP 0.509259 0.909091
244 N0B 0.508772 0.841463
245 NDE 0.508475 0.932432
246 A7D 0.505882 0.776316
247 7DD 0.505882 0.957747
248 7DT 0.505747 0.957747
249 DDS 0.505618 0.853333
250 YSA 0.50505 0.8
251 NDP 0.504673 0.921053
252 NPW 0.504673 0.886076
253 4TA 0.504587 0.829268
254 AMP NAD 0.504587 0.931507
255 FAS 0.504065 0.875
256 SFD 0.504065 0.752688
257 FAD 0.504065 0.875
258 NDC 0.5 0.896104
259 7D7 0.5 0.743243
260 NZQ 0.5 0.909091
261 MHZ 0.5 0.697674
262 TXP 0.5 0.921053
263 71V 0.5 0.883117
264 NEC 0.5 0.746667
265 Y3J 0.5 0.726027
266 A3G 0.5 0.8
267 A5D 0.5 0.810811
268 SA8 0.5 0.707317
269 NAJ PYZ 0.5 0.829268
270 RGT 0.494949 0.932432
271 8PZ 0.494949 0.821429
272 GGZ 0.494624 0.825
273 SAI 0.494382 0.734177
274 SAH 0.494382 0.74359
275 6C6 0.494382 0.857143
276 G A A A 0.490909 0.871795
277 LQJ 0.49 0.944444
278 B1U 0.49 0.755556
279 PO4 PO4 A A A A PO4 0.489583 0.929577
280 SMM 0.48913 0.686047
281 6IA 0.488889 0.814815
282 SAM 0.488889 0.690476
283 62F 0.488189 0.886076
284 FNK 0.488189 0.804598
285 J4G 0.484536 0.894737
286 FAY 0.484375 0.886076
287 EEM 0.483516 0.690476
288 AAT 0.483516 0.707317
289 PGS 0.482759 0.858974
290 D5M 0.481928 0.853333
291 DA 0.481928 0.853333
292 RFL 0.48062 0.843373
293 7C5 0.480392 0.818182
294 2SA 0.478261 0.906667
295 U A 0.477876 0.907895
296 GP3 0.477778 0.921053
297 A G 0.477477 0.883117
298 XNP 0.477477 0.873418
299 AAM 0.47619 0.943662
300 KOY 0.47619 0.826667
301 C2R 0.475 0.878378
302 AMZ 0.475 0.890411
303 A A A 0.474227 0.905405
304 DCA 0.473684 0.802326
305 ETB 0.473684 0.811765
306 GEK 0.473684 0.7375
307 U A G G 0.473214 0.883117
308 S7M 0.473118 0.690476
309 128 0.471698 0.776471
310 A3S 0.471264 0.810811
311 4YB 0.471154 0.781609
312 G1R 0.468085 0.883117
313 AIR 0.467532 0.875
314 WSA 0.46729 0.809524
315 9JJ 0.466165 0.886076
316 Z5A 0.466102 0.8
317 0T1 0.465517 0.802326
318 COA 0.465517 0.802326
319 N5O 0.464286 0.763158
320 N6P 0.463918 0.915493
321 NIA 0.463415 0.8
322 A3T 0.460674 0.821918
323 P5F 0.459259 0.823529
324 A6D 0.459184 0.743902
325 6K6 0.458333 0.90411
326 GTP 0.457447 0.894737
327 PUA 0.456897 0.884615
328 GDP 0.456522 0.894737
329 V1N 0.456311 0.944444
330 3AD 0.454545 0.805556
331 1DG 0.453782 0.921053
332 COS 0.453782 0.784091
333 DG1 0.453782 0.921053
334 CAO 0.453782 0.775281
335 AMX 0.453782 0.811765
336 30N 0.453782 0.734043
337 649 0.453704 0.764045
338 0UM 0.453608 0.698795
339 N5A 0.453488 0.736842
340 12D 0.45283 0.785714
341 GCP 0.452632 0.871795
342 F2N 0.452555 0.813953
343 101 0.452381 0.853333
344 GNH 0.451613 0.883117
345 NVA 2AD 0.450549 0.759494
346 CMX 0.45 0.802326
347 SCO 0.45 0.802326
348 8Q2 0.449541 0.793103
349 FA9 0.449275 0.864198
350 62X 0.44898 0.666667
351 GSP 0.447917 0.85
352 7RP 0.447059 0.901408
353 HDV 0.446809 0.868421
354 ACO 0.446281 0.775281
355 FAM 0.446281 0.784091
356 FCX 0.446281 0.775281
357 A U 0.445455 0.894737
358 APU 0.445455 0.894737
359 NAP 0.445378 0.945205
360 K15 0.444444 0.682353
361 S8M 0.443299 0.759494
362 HAX 0.442623 0.784091
363 7RA 0.44186 0.930556
364 AS 0.44186 0.810127
365 TAP 0.441667 0.907895
366 ACK 0.440476 0.861111
367 QQY 0.440476 0.815789
368 CC5 0.44 0.816901
369 G2R 0.44 0.860759
370 2MC 0.44 0.75
371 3KK 0.439024 0.784091
372 FYN 0.439024 0.802326
373 NHD 0.438596 0.931507
374 7L1 0.438017 0.775281
375 NA0 0.438017 0.932432
376 8BR 0.436782 0.881579
377 EO7 0.436782 0.788235
378 SXZ 0.435644 0.710843
379 CA6 0.435484 0.71134
380 OXK 0.435484 0.784091
381 MCD 0.435484 0.784091
382 COK 0.435484 0.784091
383 YZS 0.435484 0.71134
384 KGP 0.435484 0.71134
385 SOP 0.435484 0.784091
386 9GM 0.43299 0.871795
387 GNP 0.43299 0.871795
388 GDC 0.432692 0.884615
389 GDD 0.432692 0.884615
390 GKE 0.432692 0.884615
391 CO6 0.432 0.784091
392 1VU 0.432 0.775281
393 CMC 0.432 0.784091
394 NMX 0.432 0.741935
395 CMP 0.431818 0.928571
396 2BA 0.431818 0.942857
397 R5I 0.431579 0.893333
398 R7I 0.431579 0.893333
399 KB1 0.431373 0.719512
400 TM1 0.431373 0.77381
401 26A 0.43038 0.763158
402 G2Q 0.43 0.860759
403 9BG 0.429825 0.896104
404 CAJ 0.428571 0.784091
405 QQX 0.428571 0.805195
406 2VA 0.428571 0.8
407 SCD 0.428571 0.802326
408 KGA 0.426357 0.726316
409 NMN AMP PO4 0.426087 0.894737
410 RMB 0.425287 0.847222
411 FAI 0.425287 0.890411
412 IVC 0.425197 0.793103
413 A1S 0.425197 0.784091
414 KGJ 0.425197 0.734043
415 3HC 0.425197 0.793103
416 1HE 0.425197 0.766667
417 BCO 0.425197 0.784091
418 MLC 0.425197 0.784091
419 RP1 0.423529 0.866667
420 SP1 0.423529 0.866667
421 OZP 0.422018 0.75
422 COO 0.421875 0.784091
423 CAA 0.421875 0.793103
424 MCA 0.421875 0.775281
425 YE1 0.421875 0.813953
426 SO5 0.421875 0.704082
427 LCV 0.421875 0.704082
428 ANZ 0.420561 0.8
429 IDP 0.419355 0.893333
430 Y9Z 0.419048 0.809524
431 NFD 0.418803 0.907895
432 YXR 0.418605 0.71134
433 MC4 0.418605 0.741935
434 2CP 0.418605 0.775281
435 YXS 0.418605 0.71134
436 SCA 0.418605 0.784091
437 D3Y 0.418367 0.813333
438 J7V 0.418033 0.833333
439 3D1 0.417722 0.773333
440 3L1 0.417722 0.773333
441 5GP 0.417582 0.881579
442 G 0.417582 0.881579
443 MGP 0.416667 0.860759
444 BYC 0.415385 0.804598
445 KFV 0.415385 0.71875
446 COF 0.415385 0.766667
447 3CP 0.415385 0.784091
448 HGG 0.415385 0.784091
449 1GZ 0.415385 0.775281
450 2KQ 0.415385 0.766667
451 COW 0.415385 0.795455
452 CA8 0.415385 0.729167
453 IRC 0.415385 0.793103
454 N01 0.415254 0.931507
455 A C A C 0.415254 0.871795
456 SLU 0.415254 0.790698
457 SO8 0.414894 0.789474
458 VRT 0.414894 0.769231
459 1CZ 0.413534 0.775281
460 2FA 0.4125 0.813333
461 GMV 0.412371 0.871795
462 MGO 0.412371 0.8375
463 6G0 0.412371 0.860759
464 FAQ 0.412214 0.804598
465 BCA 0.412214 0.795455
466 4CA 0.412214 0.795455
467 3NZ 0.411765 0.805195
468 CO7 0.410853 0.784091
469 JLN 0.409091 0.864865
470 HXC 0.409091 0.766667
471 P2P 0.409091 0.876712
472 GRA 0.409091 0.784091
473 ZZB 0.408696 0.77381
474 5F1 0.407407 0.710526
475 103 0.406977 0.813333
476 1RB 0.406977 0.859155
477 TGC 0.406015 0.775281
478 FAD NBT 0.405797 0.75
479 ZDA 0.404255 0.84
480 GKD 0.40367 0.884615
481 KH3 0.40367 0.674419
482 U A C C 0.403361 0.883117
483 CIC 0.402985 0.784091
484 CO8 0.402985 0.766667
485 N9V 0.402985 0.775281
486 S0N 0.402985 0.804598
487 2NE 0.402985 0.786517
488 RBZ 0.402299 0.824324
489 ENP 0.401961 0.893333
490 GDR 0.401869 0.884615
491 GFB 0.401869 0.884615
492 GTG 0.401869 0.886076
493 COA FLC 0.401639 0.790698
494 MFK 0.4 0.766667
495 0FQ 0.4 0.804598
496 5F9 0.4 0.766667
497 HZ2 0.4 0.753086
498 MTP 0.4 0.730769
499 4CO 0.4 0.795455
500 MYA 0.4 0.766667
501 UCC 0.4 0.766667
502 ST9 0.4 0.766667
503 DCC 0.4 0.766667
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
APoc FAQ
Feedback