Receptor
PDB id Resolution Class Description Source Keywords
2F7C 2.16 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CATM EFFECTOR BINDING DOMAIN WITH ITS EFFECTOR CIS,CIS-MUCON ACINETOBACTER BAYLYI LTTR LYSR-TYPE TRANSCRIPTIONAL REGULATOR INDUCER BINDING DEFFECTOR BINDING DOMAIN MUCONATE GENE REGULATION
Ref.: DISTINCT EFFECTOR-BINDING SITES ENABLE SYNERGISTIC TRANSCRIPTIONAL ACTIVATION BY BENM, A LYSR-TYPE REG J.MOL.BIOL. V. 367 616 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CCU A:2;
Valid;
none;
submit data
142.109 C6 H6 O4 C(=C/...
SO4 A:1;
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
2F7C 2.16 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CATM EFFECTOR BINDING DOMAIN WITH ITS EFFECTOR CIS,CIS-MUCON ACINETOBACTER BAYLYI LTTR LYSR-TYPE TRANSCRIPTIONAL REGULATOR INDUCER BINDING DEFFECTOR BINDING DOMAIN MUCONATE GENE REGULATION
Ref.: DISTINCT EFFECTOR-BINDING SITES ENABLE SYNERGISTIC TRANSCRIPTIONAL ACTIVATION BY BENM, A LYSR-TYPE REG J.MOL.BIOL. V. 367 616 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 2F7C - CCU C6 H6 O4 C(=C/C(=O)....
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 2F7C - CCU C6 H6 O4 C(=C/C(=O)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 2F78 Kd = 1 mM BEZ C7 H6 O2 c1ccc(cc1)....
2 2F7A Kd = 1 mM BEZ C7 H6 O2 c1ccc(cc1)....
3 2F7C - CCU C6 H6 O4 C(=C/C(=O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CCU; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CCU 1 1
2 MAE 0.5625 1
3 FUM 0.5625 1
4 GLV 0.411765 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: CCU; Similar ligands found: 329
No: Ligand Similarity coefficient
1 11C 0.9628
2 GLN 0.9580
3 AKG 0.9535
4 0L1 0.9483
5 HPN 0.9461
6 2FM 0.9461
7 GUA 0.9402
8 N6C 0.9371
9 DHI 0.9368
10 HIS 0.9353
11 HHI 0.9346
12 OOG 0.9318
13 ACA 0.9311
14 KQY 0.9302
15 S8V 0.9291
16 MHN 0.9261
17 URO 0.9237
18 CCE 0.9235
19 TIH 0.9222
20 S2G 0.9219
21 HSO 0.9217
22 PPY 0.9216
23 UN1 0.9203
24 OGA 0.9202
25 GGL 0.9200
26 AG2 0.9199
27 O45 0.9196
28 GPJ 0.9190
29 152 0.9176
30 GLU 0.9173
31 ARG 0.9173
32 4LR 0.9160
33 OEG 0.9160
34 HG3 0.9160
35 DPN 0.9158
36 DE5 0.9150
37 3PG 0.9150
38 7BC 0.9148
39 G3P 0.9147
40 DGN 0.9140
41 GPF 0.9133
42 BNF 0.9128
43 PO6 0.9125
44 3YP 0.9122
45 SME 0.9120
46 LYS 0.9115
47 ILO 0.9108
48 ORN 0.9108
49 M45 0.9106
50 SNU 0.9102
51 DZA 0.9096
52 CCD 0.9096
53 MSR 0.9087
54 PIM 0.9086
55 TYL 0.9084
56 NFA 0.9083
57 OKG 0.9082
58 F98 0.9074
59 PGH 0.9071
60 NM3 0.9069
61 IXW 0.9066
62 3LR 0.9062
63 M3H 0.9054
64 1L5 0.9051
65 ONH 0.9049
66 NF3 0.9045
67 FOM 0.9045
68 NM2 0.9044
69 PHE 0.9039
70 ENV 0.9039
71 ONL 0.9038
72 AT3 0.9035
73 4LW 0.9028
74 AMH 0.9023
75 HFA 0.9021
76 SIN 0.9015
77 AL0 0.9013
78 650 0.9011
79 6NI 0.9008
80 E4P 0.9007
81 XIZ 0.9007
82 KMH 0.9006
83 HGA 0.9006
84 49F 0.9005
85 SNO 0.9005
86 0VT 0.9004
87 13P 0.9003
88 FK8 0.9003
89 OAA 0.8996
90 5XA 0.8995
91 GJZ 0.8995
92 3HG 0.8989
93 AHN 0.8988
94 2HG 0.8984
95 LYN 0.8983
96 HCI 0.8982
97 GVM 0.8977
98 TSU 0.8968
99 A5E 0.8966
100 TCA 0.8965
101 AOT 0.8965
102 J9N 0.8963
103 CHH 0.8963
104 HC4 0.8961
105 MAH 0.8960
106 2BX 0.8956
107 G3H 0.8956
108 DAR 0.8953
109 129 0.8947
110 5WZ 0.8946
111 AMS 0.8945
112 YRL 0.8945
113 TEG 0.8945
114 MZT 0.8944
115 173 0.8940
116 CPZ 0.8936
117 F4E 0.8936
118 L14 0.8934
119 3S5 0.8929
120 PIY 0.8928
121 R2P 0.8927
122 BNL 0.8925
123 6FZ 0.8924
124 NLE 0.8923
125 NPO 0.8920
126 4WL 0.8918
127 OTR 0.8918
128 HX4 0.8917
129 PZM 0.8917
130 TYR 0.8911
131 0BP 0.8909
132 VKC 0.8909
133 OCT 0.8907
134 RUJ 0.8906
135 GP9 0.8903
136 4J8 0.8897
137 C1M 0.8896
138 16D 0.8894
139 BPN 0.8892
140 PNZ 0.8890
141 ISZ 0.8887
142 GWM 0.8886
143 SEP 0.8886
144 36Y 0.8882
145 HIC 0.8880
146 IP8 0.8879
147 SSC 0.8876
148 FOC 0.8874
149 FBS 0.8874
150 9ON 0.8871
151 S2P 0.8871
152 SAN 0.8870
153 2IT 0.8869
154 A29 0.8868
155 4LV 0.8867
156 MET 0.8866
157 DGL 0.8864
158 7VP 0.8864
159 HNL 0.8864
160 HNK 0.8864
161 4PN 0.8863
162 CFI 0.8861
163 OCA 0.8860
164 PAC 0.8859
165 5NI 0.8857
166 KTA 0.8857
167 PHB 0.8854
168 TZF 0.8853
169 SSB 0.8852
170 GLY GLY 0.8850
171 64Z 0.8847
172 AEF 0.8847
173 HHH 0.8844
174 B85 0.8844
175 LQ2 0.8842
176 NIZ 0.8840
177 6NA 0.8840
178 CXP 0.8840
179 N9J 0.8839
180 NYL 0.8835
181 E5X 0.8834
182 PC 0.8834
183 PH3 0.8831
184 DAV 0.8831
185 HBD 0.8828
186 ENO 0.8827
187 SD4 0.8826
188 ESP 0.8826
189 268 0.8824
190 4BZ 0.8822
191 PG3 0.8821
192 4FA 0.8819
193 ANN 0.8819
194 BHO 0.8818
195 HDH 0.8816
196 SHO 0.8814
197 DHM 0.8814
198 ICB 0.8813
199 ESX 0.8812
200 PGA 0.8812
201 MLT 0.8812
202 1PS 0.8809
203 DXP 0.8809
204 GO2 0.8805
205 XRG 0.8805
206 PHU 0.8802
207 BZ2 0.8794
208 YZM 0.8793
209 M4T 0.8793
210 1Y6 0.8791
211 4ZA 0.8786
212 LMR 0.8785
213 RNO 0.8784
214 1GP 0.8782
215 4P5 0.8782
216 YPN 0.8782
217 4JC 0.8782
218 K34 0.8781
219 TPA 0.8780
220 MEQ 0.8777
221 CXF 0.8775
222 B40 0.8773
223 36E 0.8772
224 P81 0.8772
225 FBM 0.8770
226 PRA 0.8769
227 1X4 0.8767
228 F4K 0.8763
229 J6W 0.8760
230 4NM 0.8760
231 QMP 0.8758
232 LTL 0.8754
233 E79 0.8754
234 RAT 0.8752
235 OK7 0.8752
236 1F1 0.8751
237 RP3 0.8749
238 NSB 0.8743
239 NPI 0.8743
240 NCT 0.8741
241 PBA 0.8737
242 4NB 0.8735
243 9GB 0.8735
244 3AE 0.8734
245 HL5 0.8730
246 DHC 0.8729
247 YIE 0.8728
248 SHI 0.8728
249 EVF 0.8725
250 M4S 0.8724
251 0HN 0.8723
252 717 0.8723
253 S7J 0.8721
254 EOU 0.8721
255 DHR 0.8720
256 LR5 0.8719
257 RTK 0.8719
258 428 0.8717
259 HL4 0.8716
260 FCR 0.8715
261 AAS 0.8712
262 FBF 0.8710
263 IWT 0.8707
264 GVY 0.8707
265 GOJ 0.8706
266 KDG 0.8705
267 MHO 0.8705
268 MSL 0.8702
269 FAN 0.8702
270 258 0.8700
271 ALE 0.8695
272 2BG 0.8691
273 JAW 0.8687
274 SN4 0.8686
275 I3E 0.8686
276 LNR 0.8684
277 5LA 0.8684
278 K7M 0.8683
279 GVG 0.8679
280 JDN 0.8678
281 LDP 0.8676
282 MPV 0.8672
283 7O4 0.8671
284 PBZ 0.8670
285 5XB 0.8663
286 1BN 0.8660
287 8NB 0.8654
288 CIR 0.8648
289 R20 0.8647
290 2ZM 0.8643
291 6NT 0.8640
292 4MA 0.8633
293 12T 0.8632
294 1M2 0.8631
295 P7Y 0.8630
296 JB8 0.8626
297 C82 0.8625
298 PPT 0.8624
299 2QC 0.8622
300 KBZ 0.8616
301 PJW 0.8616
302 HQJ 0.8616
303 MEV 0.8611
304 2HC 0.8610
305 XIY 0.8608
306 0HO 0.8605
307 I1E 0.8601
308 3A9 0.8600
309 MAJ 0.8594
310 FHC 0.8593
311 HPS 0.8593
312 80G 0.8590
313 ALA ALA 0.8590
314 TZM 0.8584
315 HPP 0.8580
316 4NZ 0.8577
317 N4E 0.8576
318 069 0.8575
319 MSE 0.8571
320 L5V 0.8565
321 LLH 0.8565
322 RUY 0.8557
323 3ZB 0.8554
324 SOR 0.8539
325 1KA 0.8538
326 ABI 0.8531
327 1SH 0.8531
328 KTJ 0.8529
329 HNH 0.8529
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2F7C; Ligand: CCU; 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: 2f7c.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2F7C; Ligand: CCU; 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: 2f7c.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback