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: 451
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 ATP 0.884058 0.971831
9 AN2 0.882353 0.958333
10 AQP 0.871429 0.971831
11 5FA 0.871429 0.971831
12 M33 0.869565 0.958333
13 AD9 0.859155 0.945205
14 AGS 0.859155 0.92
15 SAP 0.859155 0.92
16 ACP 0.857143 0.945205
17 AMP 0.833333 0.943662
18 A 0.833333 0.943662
19 CA0 0.816901 0.945205
20 ADX 0.816901 0.873418
21 ANP 0.810811 0.945205
22 ACQ 0.810811 0.945205
23 50T 0.805556 0.931507
24 A22 0.805195 0.985915
25 ABM 0.797101 0.917808
26 PRX 0.794521 0.893333
27 ATF 0.789474 0.932432
28 A1R 0.78481 0.907895
29 AMP MG 0.782609 0.891892
30 AP2 0.774648 0.932432
31 A12 0.774648 0.932432
32 SRA 0.768116 0.893333
33 OAD 0.765432 0.945205
34 ADQ 0.7625 0.972222
35 5AL 0.753247 0.931507
36 3OD 0.746988 0.945205
37 APC 0.746667 0.932432
38 ADP MG 0.743243 0.905405
39 AU1 0.743243 0.945205
40 TAT 0.74026 0.932432
41 SRP 0.734177 0.906667
42 ADP BEF 0.733333 0.881579
43 BEF ADP 0.733333 0.881579
44 BIS 0.72619 0.907895
45 4AD 0.719512 0.92
46 25L 0.717647 0.985915
47 RBY 0.714286 0.932432
48 ADP PO3 0.714286 0.943662
49 ADV 0.714286 0.932432
50 00A 0.710843 0.907895
51 5SV 0.707317 0.848101
52 25A 0.707317 0.971831
53 OOB 0.707317 0.958333
54 8QN 0.707317 0.931507
55 ATP MG 0.705128 0.905405
56 PAJ 0.698795 0.884615
57 AMO 0.698795 0.932432
58 AHX 0.690476 0.896104
59 DLL 0.690476 0.958333
60 SON 0.684211 0.906667
61 3UK 0.682353 0.945205
62 ALF ADP 0.679012 0.87013
63 ADP ALF 0.679012 0.87013
64 G3A 0.677778 0.921053
65 GAP 0.675 0.893333
66 MAP 0.674699 0.92
67 LAD 0.674419 0.860759
68 WAQ 0.674419 0.883117
69 PR8 0.674419 0.85
70 ADP VO4 0.670732 0.931507
71 VO4 ADP 0.670732 0.931507
72 ANP MG 0.670732 0.894737
73 AFH 0.67033 0.909091
74 G5P 0.67033 0.921053
75 TXA 0.666667 0.932432
76 1ZZ 0.666667 0.839506
77 PTJ 0.666667 0.871795
78 NB8 0.666667 0.896104
79 48N 0.666667 0.896104
80 ME8 0.666667 0.839506
81 FYA 0.666667 0.931507
82 GTA 0.663043 0.886076
83 NAI 0.659574 0.933333
84 NAX 0.659574 0.897436
85 NXX 0.659574 0.958904
86 TXD 0.659574 0.933333
87 6V0 0.659574 0.921053
88 DND 0.659574 0.958904
89 OMR 0.652632 0.851852
90 TXE 0.652632 0.933333
91 9SN 0.651685 0.896104
92 ADN 0.651515 0.84507
93 RAB 0.651515 0.84507
94 XYA 0.651515 0.84507
95 AP0 0.645833 0.921053
96 FA5 0.644444 0.932432
97 YAP 0.644444 0.92
98 A2R 0.642857 0.958333
99 UP5 0.642105 0.945946
100 AOC 0.64 0.821918
101 2A5 0.6375 0.893333
102 XAH 0.637363 0.839506
103 DAL AMP 0.635294 0.905405
104 7D4 0.632911 0.88
105 ITT 0.632911 0.916667
106 5N5 0.632353 0.819444
107 4UV 0.630435 0.92
108 ATR 0.62963 0.943662
109 PAP 0.62963 0.957747
110 5AS 0.628205 0.77907
111 ADJ 0.626263 0.875
112 ADP BMA 0.625 0.945205
113 7D3 0.623377 0.88
114 A4D 0.623188 0.819444
115 5CD 0.623188 0.805556
116 A4P 0.622449 0.843373
117 CNA 0.62 0.958904
118 EP4 0.619718 0.753247
119 4UU 0.617021 0.92
120 4TC 0.612245 0.921053
121 139 0.61 0.897436
122 T5A 0.61 0.864198
123 COD 0.607843 0.811765
124 LAQ 0.604167 0.839506
125 A A 0.6 0.944444
126 YLP 0.597938 0.819277
127 A3P 0.594937 0.943662
128 7D5 0.594595 0.853333
129 JB6 0.593407 0.907895
130 4UW 0.591837 0.884615
131 ATP A A A 0.591398 0.957747
132 DTA 0.589041 0.810811
133 M2T 0.589041 0.734177
134 NA7 0.588889 0.932432
135 MYR AMP 0.586957 0.817073
136 3DH 0.586667 0.773333
137 TYM 0.585859 0.932432
138 G5A 0.583333 0.77907
139 MTA 0.581081 0.773333
140 YLB 0.58 0.819277
141 YLC 0.58 0.839506
142 UPA 0.58 0.933333
143 3AM 0.578947 0.902778
144 NAD 0.576923 0.958333
145 A2P 0.575 0.929577
146 AVV 0.573034 0.896104
147 6AD 0.569767 0.884615
148 PPS 0.569767 0.85
149 IOT 0.568627 0.809524
150 TYR AMP 0.568421 0.906667
151 AR6 AR6 0.56701 0.944444
152 A3D 0.566038 0.945205
153 6RE 0.564103 0.7375
154 A5A 0.563218 0.807229
155 YLA 0.563107 0.819277
156 AMP DBH 0.5625 0.918919
157 BTX 0.561905 0.819277
158 TSB 0.561798 0.819277
159 TAD 0.561224 0.884615
160 3AT 0.55814 0.944444
161 AYB 0.557692 0.809524
162 SSA 0.556818 0.8
163 BT5 0.556604 0.809524
164 AHZ 0.555556 0.817073
165 EAD 0.553571 0.897436
166 ZAS 0.551282 0.766234
167 7MD 0.55102 0.8625
168 VMS 0.550562 0.788235
169 52H 0.550562 0.77907
170 54H 0.550562 0.788235
171 IMO 0.55 0.902778
172 J7C 0.55 0.746835
173 A3N 0.55 0.786667
174 NSS 0.549451 0.8
175 AV2 0.545455 0.891892
176 2AM 0.545455 0.916667
177 NAE 0.545455 0.92
178 53H 0.544444 0.77907
179 5CA 0.544444 0.8
180 ARU 0.543478 0.8375
181 S4M 0.54321 0.666667
182 NAQ 0.540541 0.896104
183 V3L 0.54023 0.944444
184 DTP 0.54023 0.88
185 ARG AMP 0.54 0.807229
186 AF3 ADP 3PG 0.539216 0.8375
187 ALF ADP 3PG 0.539216 0.8375
188 LA8 ALF 3PG 0.539216 0.8375
189 DSH 0.5375 0.725
190 MAO 0.536585 0.759036
191 ZID 0.535714 0.945205
192 LPA AMP 0.534653 0.817073
193 P1H 0.534483 0.875
194 LSS 0.532609 0.761364
195 DSZ 0.532609 0.8
196 P5A 0.531915 0.744444
197 DAT 0.529412 0.88
198 5X8 0.529412 0.763158
199 5AD 0.528571 0.746479
200 DZD 0.527778 0.909091
201 NVA LMS 0.526882 0.761364
202 FB0 0.525424 0.784091
203 OVE 0.525 0.88
204 GJV 0.52439 0.728395
205 NJP 0.523364 0.945946
206 M24 0.522523 0.873418
207 YLY 0.522523 0.809524
208 LEU LMS 0.521277 0.761364
209 7MC 0.519231 0.841463
210 0WD 0.518519 0.921053
211 NAJ PZO 0.518182 0.871795
212 FDA 0.516667 0.833333
213 GSU 0.515789 0.77907
214 KAA 0.515789 0.752809
215 6FA 0.512397 0.864198
216 SFG 0.511628 0.75
217 NAD IBO 0.509259 0.894737
218 ODP 0.509259 0.909091
219 N0B 0.508772 0.841463
220 NDE 0.508475 0.932432
221 A7D 0.505882 0.776316
222 7DD 0.505882 0.957747
223 7DT 0.505747 0.957747
224 DDS 0.505618 0.853333
225 YSA 0.50505 0.8
226 NDP 0.504673 0.921053
227 NPW 0.504673 0.886076
228 4TA 0.504587 0.829268
229 FAD 0.504065 0.875
230 FAS 0.504065 0.875
231 SFD 0.504065 0.752688
232 NEC 0.5 0.746667
233 TXP 0.5 0.921053
234 NZQ 0.5 0.909091
235 7D7 0.5 0.743243
236 MHZ 0.5 0.697674
237 A5D 0.5 0.810811
238 A3G 0.5 0.8
239 NDC 0.5 0.896104
240 SA8 0.5 0.707317
241 Y3J 0.5 0.726027
242 71V 0.5 0.883117
243 RGT 0.494949 0.932432
244 GGZ 0.494624 0.825
245 SAI 0.494382 0.734177
246 SAH 0.494382 0.74359
247 6C6 0.494382 0.857143
248 G A A A 0.490909 0.871795
249 PO4 PO4 A A A A PO4 0.489583 0.929577
250 SMM 0.48913 0.686047
251 SAM 0.488889 0.690476
252 6IA 0.488889 0.814815
253 FNK 0.488189 0.804598
254 62F 0.488189 0.886076
255 NAJ PYZ 0.486957 0.873418
256 FAY 0.484375 0.886076
257 EEM 0.483516 0.690476
258 AAT 0.483516 0.707317
259 PGS 0.482759 0.858974
260 DA 0.481928 0.853333
261 D5M 0.481928 0.853333
262 RFL 0.48062 0.843373
263 7C5 0.480392 0.818182
264 2SA 0.478261 0.906667
265 GP3 0.477778 0.921053
266 XNP 0.477477 0.873418
267 AAM 0.47619 0.943662
268 AMZ 0.475 0.890411
269 C2R 0.475 0.878378
270 A A A 0.474227 0.905405
271 GEK 0.473684 0.7375
272 ETB 0.473684 0.811765
273 DCA 0.473684 0.802326
274 U A G G 0.473214 0.883117
275 S7M 0.473118 0.690476
276 128 0.471698 0.776471
277 A3S 0.471264 0.810811
278 4YB 0.471154 0.781609
279 AMP NAD 0.470085 0.906667
280 G1R 0.468085 0.883117
281 AIR 0.467532 0.875
282 WSA 0.46729 0.809524
283 Z5A 0.466102 0.8
284 COA 0.465517 0.802326
285 0T1 0.465517 0.802326
286 N6P 0.463918 0.915493
287 NIA 0.463415 0.8
288 A3T 0.460674 0.821918
289 P5F 0.459259 0.823529
290 A6D 0.459184 0.743902
291 6K6 0.458333 0.90411
292 GTP 0.457447 0.894737
293 PUA 0.456897 0.884615
294 GDP 0.456522 0.894737
295 V1N 0.456311 0.944444
296 3AD 0.454545 0.805556
297 30N 0.453782 0.734043
298 CAO 0.453782 0.775281
299 AMX 0.453782 0.811765
300 COS 0.453782 0.784091
301 1DG 0.453782 0.921053
302 DG1 0.453782 0.921053
303 649 0.453704 0.764045
304 0UM 0.453608 0.698795
305 12D 0.45283 0.785714
306 GCP 0.452632 0.871795
307 F2N 0.452555 0.813953
308 101 0.452381 0.853333
309 GNH 0.451613 0.883117
310 CMX 0.45 0.802326
311 SCO 0.45 0.802326
312 FA9 0.449275 0.864198
313 62X 0.44898 0.666667
314 GSP 0.447917 0.85
315 7RP 0.447059 0.901408
316 FCX 0.446281 0.775281
317 FAM 0.446281 0.784091
318 ACO 0.446281 0.775281
319 A U 0.445455 0.894737
320 APU 0.445455 0.894737
321 NAP 0.445378 0.945205
322 K15 0.444444 0.682353
323 PLP AAD 0.443478 0.761364
324 S8M 0.443299 0.759494
325 HAX 0.442623 0.784091
326 AS 0.44186 0.810127
327 7RA 0.44186 0.930556
328 TAP 0.441667 0.907895
329 QQY 0.440476 0.815789
330 ACK 0.440476 0.861111
331 2MC 0.44 0.75
332 G2R 0.44 0.860759
333 CC5 0.44 0.816901
334 3KK 0.439024 0.784091
335 FYN 0.439024 0.802326
336 NHD 0.438596 0.931507
337 NA0 0.438017 0.932432
338 8BR 0.436782 0.881579
339 SXZ 0.435644 0.710843
340 CA6 0.435484 0.71134
341 COK 0.435484 0.784091
342 OXK 0.435484 0.784091
343 SOP 0.435484 0.784091
344 MCD 0.435484 0.784091
345 GNP 0.43299 0.871795
346 GDD 0.432692 0.884615
347 GKE 0.432692 0.884615
348 GDC 0.432692 0.884615
349 NMX 0.432 0.741935
350 CO6 0.432 0.784091
351 1VU 0.432 0.775281
352 CMC 0.432 0.784091
353 2BA 0.431818 0.942857
354 CMP 0.431818 0.928571
355 TM1 0.431373 0.77381
356 KB1 0.431373 0.719512
357 26A 0.43038 0.763158
358 G2Q 0.43 0.860759
359 CAJ 0.428571 0.784091
360 QQX 0.428571 0.805195
361 2VA 0.428571 0.8
362 SCD 0.428571 0.802326
363 NAD BBN 0.427481 0.864198
364 NMN AMP PO4 0.426087 0.894737
365 FAI 0.425287 0.890411
366 RMB 0.425287 0.847222
367 3HC 0.425197 0.793103
368 BCO 0.425197 0.784091
369 IVC 0.425197 0.793103
370 A1S 0.425197 0.784091
371 MLC 0.425197 0.784091
372 1HE 0.425197 0.766667
373 RP1 0.423529 0.866667
374 SP1 0.423529 0.866667
375 COO 0.421875 0.784091
376 MCA 0.421875 0.775281
377 CAA 0.421875 0.793103
378 YE1 0.421875 0.813953
379 NAD CJ3 0.421053 0.833333
380 ANZ 0.420561 0.8
381 IDP 0.419355 0.893333
382 Y9Z 0.419048 0.809524
383 NFD 0.418803 0.907895
384 SCA 0.418605 0.784091
385 MC4 0.418605 0.741935
386 2CP 0.418605 0.775281
387 D3Y 0.418367 0.813333
388 J7V 0.418033 0.833333
389 3D1 0.417722 0.773333
390 3L1 0.417722 0.773333
391 G 0.417582 0.881579
392 5GP 0.417582 0.881579
393 MGP 0.416667 0.860759
394 COW 0.415385 0.795455
395 IRC 0.415385 0.793103
396 3CP 0.415385 0.784091
397 CA8 0.415385 0.729167
398 2KQ 0.415385 0.766667
399 BYC 0.415385 0.804598
400 1GZ 0.415385 0.775281
401 HGG 0.415385 0.784091
402 COF 0.415385 0.766667
403 U G A 0.415385 0.839506
404 SLU 0.415254 0.790698
405 N01 0.415254 0.931507
406 VRT 0.414894 0.769231
407 SO8 0.414894 0.789474
408 1CZ 0.413534 0.775281
409 2FA 0.4125 0.813333
410 6G0 0.412371 0.860759
411 MGO 0.412371 0.8375
412 GMV 0.412371 0.871795
413 4CA 0.412214 0.795455
414 FAQ 0.412214 0.804598
415 BCA 0.412214 0.795455
416 3NZ 0.411765 0.805195
417 CO7 0.410853 0.784091
418 JLN 0.409091 0.864865
419 P2P 0.409091 0.876712
420 HXC 0.409091 0.766667
421 GRA 0.409091 0.784091
422 CNV FAD 0.408759 0.793103
423 ZZB 0.408696 0.77381
424 5F1 0.407407 0.710526
425 103 0.406977 0.813333
426 1RB 0.406977 0.859155
427 TGC 0.406015 0.775281
428 FAD NBT 0.405797 0.75
429 ZDA 0.404255 0.84
430 NVA 2AD 0.404255 0.74359
431 GKD 0.40367 0.884615
432 KH3 0.40367 0.674419
433 U A C C 0.403361 0.883117
434 CIC 0.402985 0.784091
435 CO8 0.402985 0.766667
436 2NE 0.402985 0.786517
437 S0N 0.402985 0.804598
438 RBZ 0.402299 0.824324
439 ENP 0.401961 0.893333
440 GDR 0.401869 0.884615
441 GFB 0.401869 0.884615
442 GTG 0.401869 0.886076
443 MYA 0.4 0.766667
444 UCC 0.4 0.766667
445 ST9 0.4 0.766667
446 DCC 0.4 0.766667
447 4CO 0.4 0.795455
448 MTP 0.4 0.730769
449 0FQ 0.4 0.804598
450 MFK 0.4 0.766667
451 5F9 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: 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
Feedback