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