Receptor
PDB id Resolution Class Description Source Keywords
1QO0 2.25 Å NON-ENZYME: TRANSCRIPT_TRANSLATE AMIDE RECEPTOR OF THE AMIDASE OPERON OF PSEUDOMONAS AERUGINO COMPLEXED WITH THE NEGATIVE REGULATOR AMIR. PSEUDOMONAS AERUGINOSA BINDING PROTEIN GENE REGULATOR RECEPTOR
Ref.: CRYSTAL STRUCTURE AND INDUCTION MECHANISM OF AMIC-A LIGAND-REGULATED TRANSCRIPTION ANTITERMINATION COMP EMBO J. V. 18 5175 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BMD A:400;
B:500;
Valid;
Valid;
none;
none;
submit data
87.12 C4 H9 N O CCCC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QO0 2.25 Å NON-ENZYME: TRANSCRIPT_TRANSLATE AMIDE RECEPTOR OF THE AMIDASE OPERON OF PSEUDOMONAS AERUGINO COMPLEXED WITH THE NEGATIVE REGULATOR AMIR. PSEUDOMONAS AERUGINOSA BINDING PROTEIN GENE REGULATOR RECEPTOR
Ref.: CRYSTAL STRUCTURE AND INDUCTION MECHANISM OF AMIC-A LIGAND-REGULATED TRANSCRIPTION ANTITERMINATION COMP EMBO J. V. 18 5175 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 1QO0 - BMD C4 H9 N O CCCC(=O)N
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 1QO0 - BMD C4 H9 N O CCCC(=O)N
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 1QO0 - BMD C4 H9 N O CCCC(=O)N
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BMD; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 BMD 1 1
2 ROP 0.533333 0.842105
3 HPN 0.478261 0.76
Similar Ligands (3D)
Ligand no: 1; Ligand: BMD; Similar ligands found: 308
No: Ligand Similarity coefficient
1 BU4 1.0252
2 BAL 1.0000
3 SAR 1.0000
4 BUA 1.0000
5 AOA 1.0000
6 MTG 0.9965
7 BUB 0.9965
8 BUQ 0.9946
9 3OH 0.9944
10 EGD 0.9921
11 ITU 0.9900
12 SLP 0.9898
13 3BB 0.9809
14 DSS 0.9786
15 MSF 0.9764
16 ETX 0.9735
17 GLY 0.9714
18 PYR 0.9701
19 MTD 0.9700
20 PUT 0.9690
21 R3W 0.9681
22 ABU 0.9666
23 HVB 0.9660
24 XAP 0.9657
25 1SP 0.9643
26 PPI 0.9636
27 4HA 0.9633
28 OXL 0.9629
29 PE9 0.9624
30 LEA 0.9622
31 AKR 0.9616
32 F3V 0.9611
33 MLA 0.9609
34 OXM 0.9609
35 GOA 0.9597
36 FW5 0.9593
37 2OP 0.9591
38 MLI 0.9589
39 OXD 0.9586
40 FAH 0.9586
41 BXO 0.9586
42 SSN 0.9583
43 LAC 0.9579
44 NAK 0.9578
45 ALA 0.9568
46 PRI 0.9559
47 FJO 0.9558
48 HBS 0.9553
49 NIE 0.9546
50 HBR 0.9543
51 3CL 0.9542
52 3PY 0.9539
53 CYS 0.9536
54 PXO 0.9523
55 GLV 0.9519
56 HIU 0.9516
57 P2D 0.9506
58 1BP 0.9506
59 SER 0.9504
60 DAL 0.9503
61 GOL 0.9502
62 2RA 0.9486
63 DXX 0.9484
64 DMG 0.9482
65 7CL 0.9475
66 TSZ 0.9475
67 DE2 0.9473
68 ALQ 0.9472
69 3HL 0.9469
70 AML 0.9463
71 2KT 0.9462
72 NMU 0.9459
73 2A1 0.9458
74 COM 0.9457
75 AAE 0.9457
76 13D 0.9451
77 IVA 0.9443
78 DGY 0.9440
79 03W 0.9440
80 HVQ 0.9436
81 BUO 0.9432
82 SMB 0.9430
83 HV2 0.9428
84 SGL 0.9427
85 DSN 0.9422
86 SIN 0.9417
87 KG7 0.9414
88 F50 0.9411
89 3HR 0.9411
90 A8C 0.9407
91 HAE 0.9407
92 A3B 0.9407
93 CHT 0.9403
94 BTL 0.9402
95 DCY 0.9401
96 C5J 0.9399
97 9A7 0.9398
98 CRD 0.9398
99 C2N 0.9397
100 NVI 0.9396
101 BXA 0.9395
102 39J 0.9393
103 MZ0 0.9390
104 DBB 0.9382
105 ETM 0.9377
106 ABA 0.9375
107 MLM 0.9367
108 HUI 0.9360
109 CP2 0.9360
110 BBU 0.9344
111 BVC 0.9343
112 ISU 0.9342
113 EFS 0.9337
114 XPO 0.9311
115 TAU 0.9310
116 J3K 0.9310
117 NIS 0.9305
118 9SB 0.9304
119 BVG 0.9302
120 2A3 0.9301
121 1KA 0.9294
122 9A4 0.9282
123 IPU 0.9267
124 BAQ 0.9263
125 1CB 0.9259
126 8X3 0.9251
127 3GR 0.9249
128 AMC 0.9248
129 6SP 0.9238
130 HSE 0.9232
131 69O 0.9231
132 MGX 0.9227
133 MEU 0.9221
134 2HE 0.9220
135 1AC 0.9214
136 CNH 0.9214
137 PYZ 0.9207
138 2EZ 0.9203
139 PYM 0.9193
140 NHY 0.9191
141 VAL 0.9180
142 P7I 0.9179
143 ETF 0.9177
144 3SS 0.9175
145 MZY 0.9175
146 FPI 0.9170
147 0CL 0.9168
148 ATO 0.9167
149 MRY 0.9161
150 POA 0.9159
151 HSM 0.9156
152 THR 0.9153
153 HCS 0.9146
154 GBL 0.9146
155 24T 0.9139
156 61G 0.9137
157 D2P 0.9137
158 1DH 0.9137
159 BYZ 0.9134
160 1DU 0.9132
161 9YL 0.9125
162 3MT 0.9125
163 PRO 0.9124
164 4MZ 0.9120
165 2IM 0.9114
166 2HA 0.9113
167 DTL 0.9112
168 VX 0.9110
169 GXV 0.9110
170 NBN 0.9102
171 TFB 0.9098
172 ATQ 0.9094
173 25T 0.9093
174 ABN 0.9092
175 LER 0.9092
176 ES3 0.9092
177 CYH 0.9091
178 IPH 0.9089
179 AGU 0.9086
180 CEJ 0.9078
181 TCV 0.9073
182 VKC 0.9071
183 CXL 0.9069
184 5KX 0.9063
185 JZ6 0.9060
186 A20 0.9055
187 VSO 0.9055
188 FOA 0.9053
189 2MZ 0.9050
190 GXE 0.9050
191 23W 0.9046
192 DAB 0.9045
193 HX2 0.9045
194 L60 0.9028
195 9X7 0.9027
196 HBX 0.9027
197 KIV 0.9022
198 SYN 0.9019
199 OSM 0.9017
200 93B 0.9014
201 DTU 0.9013
202 MMQ 0.9013
203 MMU 0.9011
204 HAI 0.9010
205 FUM 0.9009
206 MZW 0.9008
207 282 0.9008
208 DCL 0.9006
209 BRP 0.9000
210 HZP 0.8998
211 PYF 0.8997
212 1MZ 0.8995
213 MPD 0.8994
214 CSS 0.8992
215 OHG 0.8989
216 OPE 0.8989
217 MAE 0.8988
218 BP9 0.8987
219 HDA 0.8984
220 PY7 0.8980
221 AKB 0.8978
222 TAN 0.8977
223 2PC 0.8972
224 4MV 0.8968
225 TP5 0.8967
226 HYN 0.8967
227 TZC 0.8962
228 NVA 0.8960
229 5MP 0.8959
230 TB6 0.8957
231 3TR 0.8952
232 AMT 0.8948
233 IHG 0.8945
234 HHN 0.8945
235 APY 0.8942
236 MR3 0.8938
237 ALO 0.8933
238 HOW 0.8929
239 NMG 0.8927
240 TB0 0.8926
241 PGA 0.8925
242 273 0.8924
243 HGW 0.8922
244 PYJ 0.8921
245 BAE 0.8921
246 PYC 0.8920
247 PRS 0.8911
248 PIH 0.8910
249 A2Q 0.8910
250 DTT 0.8907
251 2MH 0.8903
252 2AI 0.8902
253 MAK 0.8900
254 B24 0.8895
255 MBN 0.8893
256 9CL 0.8892
257 TTO 0.8889
258 DPR 0.8887
259 1MR 0.8885
260 H95 0.8880
261 8CL 0.8880
262 S0H 0.8872
263 4JU 0.8869
264 XIX 0.8866
265 E60 0.8853
266 T2C 0.8850
267 BML 0.8848
268 C21 0.8841
269 CP 0.8835
270 PAE 0.8834
271 280 0.8830
272 SAT 0.8828
273 3AP 0.8826
274 WOT 0.8825
275 2AP 0.8804
276 7VD 0.8800
277 HRZ 0.8792
278 4AP 0.8787
279 CRS 0.8787
280 V1L 0.8786
281 HVK 0.8779
282 PCT 0.8778
283 DQY 0.8776
284 ODV 0.8769
285 IQ0 0.8767
286 H3M 0.8764
287 LGA 0.8761
288 J1Z 0.8756
289 9PO 0.8743
290 265 0.8718
291 JAB 0.8709
292 SMV 0.8705
293 7WG 0.8703
294 RSO 0.8701
295 JBN 0.8695
296 PG3 0.8672
297 ORN 0.8660
298 COI 0.8638
299 51F 0.8634
300 THE 0.8629
301 278 0.8613
302 MLT 0.8611
303 JZ5 0.8593
304 YCP 0.8562
305 285 0.8550
306 XRG 0.8545
307 LMR 0.8540
308 UY7 0.8530
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QO0; Ligand: BMD; 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: 1qo0.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1QO0; Ligand: BMD; 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: 1qo0.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1QO0; Ligand: BMD; 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: 1qo0.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1QO0; Ligand: BMD; 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: 1qo0.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback