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Receptor
PDB id Resolution Class Description Source Keywords
5EP3 1.8 Å NON-ENZYME: TRANSCRIPT_TRANSLATE QUORUM-SENSING SIGNAL INTEGRATOR LUXO - CATALYTIC DOMAIN BOU 133 INHIBITOR PHOTOBACTERIUM ANGUSTUM QUORUM SENSING AAA+ PROTEIN CATALYTIC DOMAIN ATPASE INHITRANSCRIPTION-TRANSCRIPTION INHIBITOR COMPLEX
Ref.: STRUCTURE, REGULATION, AND INHIBITION OF THE QUORUM SIGNAL INTEGRATOR LUXO. PLOS BIOL. V. 14 02464 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:404;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
EPE A:403;
Invalid;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
5QT A:401;
Valid;
none;
submit data
272.324 C10 H16 N4 O3 S CC(C)...
SO4 A:402;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EP2 1.42 Å NON-ENZYME: TRANSCRIPT_TRANSLATE QUORUM-SENSING SIGNAL INTEGRATOR LUXO - CATALYTIC DOMAIN IN WITH AZAU INHIBITOR PHOTOBACTERIUM ANGUSTUM QUORUM SENSING AAA+ PROTEIN CATALYTIC DOMAIN ATPASE INHITRANSCRIPTION-TRANSCRIPTION INHIBITOR COMPLEX
Ref.: STRUCTURE, REGULATION, AND INHIBITION OF THE QUORUM SIGNAL INTEGRATOR LUXO. PLOS BIOL. V. 14 02464 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 5EP2 - AZU C10 H15 N3 O4 S CC(C)(C)CO....
2 5EP3 - 5QT C10 H16 N4 O3 S CC(C)(C)CO....
3 5EP4 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 5EP2 - AZU C10 H15 N3 O4 S CC(C)(C)CO....
2 5EP3 - 5QT C10 H16 N4 O3 S CC(C)(C)CO....
3 5EP4 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4QNR - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2C9C - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 2C99 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
4 2C96 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 4QOS - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 2C98 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 5EXT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 5EXS - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
9 5EP3 - 5QT C10 H16 N4 O3 S CC(C)(C)CO....
10 5EP4 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5QT; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 5QT 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EP2; Ligand: AZU; Similar sites found with APoc: 324
This union binding pocket(no: 1) in the query (biounit: 5ep2.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1HBK MYR None
2 3CYI ATP None
3 3E70 GDP None
4 2VWA PTY None
5 5NM7 GLY None
6 3HY2 ATP None
7 5C2N NAG None
8 4V1F BQ1 None
9 4RW3 DKA 1.17188
10 4RW3 PLM 1.17188
11 3A1S GDP 1.17188
12 4RW3 TDA 1.17188
13 3MBC NAP 1.5625
14 5J1J ANP 1.5625
15 1SQ5 ADP 1.5625
16 4YLG GDP 1.7341
17 4M3P HCS 1.95312
18 5L3V GDP 1.95312
19 2CDN ADP 1.99005
20 2D2F ADP 2
21 1TL2 NDG 2.11864
22 5G41 AP5 2.24215
23 1ZIN AP5 2.30415
24 4DKX GDP 2.31481
25 3B9Q MLI 2.34375
26 3TBK ANP 2.34375
27 6B4K ANP 2.34375
28 3NHB ADP 2.34375
29 3P4X ADP 2.34375
30 4LYA ATP 2.34375
31 1YRB GDP 2.34375
32 2ZR9 DTP 2.34375
33 4EBZ NAG NAG NAG NAG 2.34375
34 4DCT GDP 2.34375
35 5H68 AGS 2.34375
36 1H82 GZZ 2.34375
37 1H82 FAD 2.34375
38 1YQC GLV 2.35294
39 2BHW NEX 2.58621
40 5KUT GDP 2.6455
41 4URS C2E 2.65957
42 3GJ0 GDP 2.71493
43 5D6C 57S 2.72727
44 2GK6 ADP 2.73438
45 5MZN ADP 2.73438
46 5LX9 OLB 2.73438
47 3NIP 16D 2.73438
48 5L3S GNP 2.73438
49 5L3R GCP 2.73438
50 5HCN GCP 2.73438
51 1C0I BE2 2.73438
52 1C0I FAD 2.73438
53 5L3S G 2.73438
54 2EB5 OXL 2.73438
55 5N26 CPT 2.74725
56 5BXQ GDP 2.77778
57 6G47 SIA 2.87081
58 4LPS GDP 2.89256
59 2C3H GLC GLC 3.06122
60 3N5C GDP 3.08642
61 1R0X ATP 3.125
62 4XGU ADP 3.125
63 6CB2 OLC 3.125
64 4PJ3 ANP 3.125
65 1RRC ADP 3.125
66 4TVD BGC 3.125
67 4G86 BNT 3.125
68 4NON GDP 3.125
69 4B9E FAH 3.125
70 5XQL C2E 3.125
71 1SVM ATP 3.125
72 1S8F GDP 3.38983
73 5UGW GSH 3.42857
74 5H4S RAM 3.51562
75 3O01 DXC 3.51562
76 2D7D ADP 3.51562
77 1BG2 ADP 3.51562
78 4WZ6 ATP 3.51562
79 1GOJ ADP 3.51562
80 1OFH ADP 3.51562
81 3DC4 ADP 3.51562
82 2IYL GDP 3.51562
83 1OYY AGS 3.51562
84 1G41 ADP 3.51562
85 5UIV ADP 3.52423
86 4MGA 27L 3.52941
87 2HF9 GSP 3.53982
88 1XX6 ADP 3.66492
89 3DKP ADP 3.67347
90 2X77 GDP 3.7037
91 5W75 SUC 3.90625
92 2WHX ADP 3.90625
93 4PPF FLC 3.90625
94 5TSH ANP 3.90625
95 1D2N ANP 3.90625
96 1YQT ADP 3.90625
97 5TSH ADP 3.90625
98 2VVG ADP 3.90625
99 5YV5 ADP 3.90625
100 2J5V PCA 3.90625
101 2JLR ANP 3.90625
102 1Q19 SSC 3.90625
103 3MD0 GDP 3.90625
104 4YS0 ADP 3.90625
105 2WIC GNP 3.90625
106 4R98 GNH 3.90625
107 2I4I AMP 3.90625
108 4LC1 GDP 3.90625
109 5YVT NAI 3.90625
110 3IUY AMP 3.94737
111 1JI0 ATP 4.16667
112 4YMU ATP 4.16667
113 2CJW GDP 4.16667
114 2A5J GDP 4.18848
115 5IFS ADP 4.29688
116 3HU3 AGS 4.29688
117 1JJ7 ADP 4.29688
118 2AWN ADP 4.29688
119 5C1M OLC 4.29688
120 5BN3 ADP 4.29688
121 1F9V ADP 4.29688
122 5CK5 GDP 4.29688
123 1XKV ATP 4.29688
124 3PQC GDP 4.29688
125 2YFB SIN 4.29688
126 1V8K ANP 4.29688
127 3QKT ANP 4.29688
128 2ORV 4TA 4.29688
129 3U6B GDP 4.29688
130 2QE0 NAP 4.29688
131 4PC3 GDP 4.29688
132 4J0Q GDP 4.29688
133 1VG1 GDP 4.32432
134 1VG9 GDP 4.32432
135 5XNA SHV 4.34783
136 1JJV ATP 4.36893
137 1MR3 G3D 4.41989
138 5O74 GDP 4.44444
139 1DAK DPU 4.46429
140 1DAK ADP 4.46429
141 1XZ3 ICF 4.5977
142 1Z0A GDP 4.5977
143 2JBM SRT 4.6875
144 6AU6 GDP 4.6875
145 4CVN ADP 4.71204
146 4KFU ACP 4.71698
147 1IZC PYR 4.71976
148 1Z0F GDP 5.02793
149 4DDY DN6 5.07812
150 4HSE ADP 5.07812
151 4KBF AMP 5.07812
152 4AG5 ADP 5.07812
153 1Z6T ADP 5.07812
154 4PX9 ADP 5.07812
155 5IRN ADP 5.07812
156 4WBD CIT 5.07812
157 3WY9 GDP 5.07812
158 4BQS ADP 5.11364
159 2X7I CIT 5.19481
160 1M7G AV2 5.21327
161 1M7G ADX 5.21327
162 3B7G ANP 5.21739
163 2PZE ATP 5.24017
164 4U00 ADP 5.32787
165 1B0U ATP 5.34351
166 1FNN ADP 5.46875
167 1T5C ADP 5.46875
168 4Q0A 4OA 5.46875
169 4A4Z ANP 5.46875
170 5VZ0 2BA 5.46875
171 3ZFD ANP 5.46875
172 1RE0 GDP 5.4878
173 5GVR LMR 5.55556
174 1NJF AGS 5.6
175 1NJF ADP 5.6
176 6AIC AMP 5.60748
177 1SVI GDP 5.64103
178 5Z3I ADE 5.66038
179 4WOP CTP 5.77778
180 4E03 ADP 5.82524
181 3COB ADP 5.85938
182 6A20 ADP 5.85938
183 5ZBR ANP 5.85938
184 3LRE ADP 5.85938
185 1XVB BHL 5.85938
186 3IIJ ADP 6.11111
187 2WOJ ADP ALF 6.21469
188 1T0S BML 6.25
189 1OXV ANP 6.25
190 3H4S ADP 6.25
191 4FRZ ADP 6.25
192 2DPY ADP 6.25
193 2BHZ MAL 6.25
194 1QHG ATP 6.25
195 1FZQ GDP 6.25
196 5VGR GDP 6.25
197 2RCN GDP 6.25
198 1OS1 PYR 6.25
199 1OS1 ATP 6.25
200 3MWL 8OX 6.28019
201 1ZJ6 G3D 6.41711
202 4D0N GDP 6.48649
203 4TTQ ATP 6.51163
204 1Y63 ADP 6.52174
205 3AQ4 GDP 6.52174
206 1F6B GDP 6.56566
207 2NCD ADP 6.64062
208 1RJ9 GCP 6.64062
209 5XKT GNP 6.64062
210 4ZNL BEF ADP 6.64062
211 4Q1A 2XZ 6.64062
212 4Q1A UDP 6.64062
213 2CDC XYS 6.64062
214 4XVU ATP 6.64062
215 1KO8 6PG 6.85714
216 3B5J 12D 6.99588
217 3UIE ANP 7
218 4IHQ ADP 7.03125
219 2GDJ ANP 7.03125
220 2QEN ADP 7.03125
221 3ZQ6 ADP ALF 7.40741
222 3G5N PB2 7.42188
223 5FTB ANP 7.42188
224 5LB3 ADP 7.42188
225 5FHD ADP ALF 7.42188
226 5VHC BEF ADP 7.42188
227 3TK1 GDP 7.42188
228 3BER AMP 7.63052
229 2CIX CEJ 7.69231
230 4DD8 BAT 7.69231
231 5ZXD ATP 7.8125
232 2ZX2 RAM 7.8125
233 2XT3 ADP 7.8125
234 5Y6N ADP 7.8125
235 5WC2 ADP 7.8125
236 2IS6 ADP 7.8125
237 3Q72 GNP 7.83133
238 4XTR ATP 8.10811
239 4QM7 GTP 8.18713
240 2OBM ADP 8.20312
241 3CNL GNP 8.20312
242 3L1N PLM 8.20312
243 2VOH CIT 8.28025
244 4V0K GDP 8.28402
245 2J0V GDP 8.49057
246 2QG6 NMN 8.54271
247 2QZ4 ADP 8.59375
248 4FCW ADP 8.59375
249 2GKS ADP 8.59375
250 4URF 1PS 8.87097
251 2ZJ5 ADP 8.98438
252 4KVA GTP 8.98438
253 3RV5 DXC 8.98876
254 2WJG GDP 9.04255
255 2HT6 GDP 9.1954
256 5W7B MYR 9.21986
257 3W5J GDP 9.31373
258 4HI0 GDP 9.375
259 2PEZ DAT 9.49721
260 1QHH ATP 9.58084
261 2OFW ADX 9.61539
262 2FSH ANP 9.76562
263 3ZXE PGZ 9.77444
264 4DID GDP 9.86842
265 5E5U MLI 10.0503
266 2Y65 ADP 10.1562
267 2PL3 ADP 10.1562
268 2FNA ADP 10.1562
269 2WJH GDP 10.241
270 2WJH FLC 10.241
271 2ZTS ADP 10.3586
272 2OG2 MLI 10.5469
273 2C9O ADP 10.5469
274 2XAU ADP 10.5469
275 3Q85 GNP 10.6509
276 2CE7 ADP 10.9375
277 4OGQ 7PH 10.9375
278 1GXU 2HP 10.989
279 5N69 ADP 11.0553
280 2RGX AP5 11.165
281 3BFV ADP 11.3281
282 1I4D GDP 11.4583
283 1DS6 GDP 11.4583
284 1N13 AG2 11.5044
285 3CH5 GDP 11.5385
286 2QQC AG2 11.6071
287 5BQ5 ADP BEF 11.6402
288 5M04 GDP 11.7188
289 5MVR ADP 11.7284
290 1G6H ADP 12.5
291 4UBS DIF 12.5
292 3KTA AP5 12.7168
293 1R6B ADP 12.8906
294 2KIN ADP 13.0252
295 2V7Q ADP 13.2812
296 2CK3 ADP 13.2812
297 2CK3 ANP 13.2812
298 2V7Q ATP 13.2812
299 1W0J ADP 13.2812
300 1YZG GDP 13.4078
301 4O4Z N2O 13.6364
302 3QF7 ANP 14
303 1MT1 AG2 14.1593
304 5LTJ ADP 14.4531
305 5LTJ BEF 14.4531
306 2CBZ ATP 14.7679
307 1VHT BA3 15.1376
308 1HTW ADP 15.8228
309 5U32 GDP 16.5254
310 5UC9 MYR 16.7969
311 3A4M ADP 17.3077
312 3AB4 THR 18.3594
313 4YDS ATP 18.4211
314 2W58 ADP 18.8119
315 6C90 ADP 19.2308
316 4P3Y GDP 19.2308
317 1LVG ADP 21.7172
318 5J1S ATP 21.9512
319 3ZIA ADP 24.6377
320 3ZIA ATP 24.6377
321 4LJ9 ACP 27.7344
322 4D81 ADP 29.2969
323 1ZOT EMA 31.8841
324 3ZS9 ADP ALF 39.4737
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