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 257 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 222 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 185 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
Ligand no: 1; Ligand: CCU; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CCU 1 1
2 FUM 0.5625 1
3 MAE 0.5625 1
4 GLV 0.411765 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2F7C; Ligand: CCU; Similar sites found: 242
This union binding pocket(no: 1) in the query (biounit: 2f7c.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Y1A GSH 0.0003219 0.51848 None
2 3QDW A2G 0.002116 0.44414 None
3 1SS4 GSH 0.007391 0.44275 None
4 3RF4 FUN 0.0003127 0.43731 None
5 3QDV A2G 0.003591 0.4333 None
6 3SJ0 DXC 0.002118 0.42792 None
7 3QDY A2G GAL 0.00404 0.42295 None
8 2VKL MLT 0.009621 0.42108 None
9 1H8G CHT 0.0148 0.42036 None
10 1Y2W NAG 0.002655 0.41682 None
11 1UWZ THU 0.004748 0.41598 None
12 3QDV NDG 0.004047 0.41575 None
13 2E1A MSE 0.0006477 0.41492 None
14 1ULE GLA GAL NAG 0.01013 0.40489 None
15 4W6Z ETF 0.004223 0.42998 1.28755
16 3WCS MAN NAG GAL 0.0004739 0.41018 1.28755
17 3WCS MAN NAG 0.002486 0.40158 1.28755
18 1XE7 GUN 0.01131 0.40974 1.47783
19 3SCH TB6 0.0005581 0.44499 1.51515
20 3S9K CIT 0.0008822 0.47545 1.69492
21 3A8U PLP 0.000313 0.48087 1.71674
22 2AEB ABH 0.005886 0.43621 1.71674
23 1AX2 NDG GAL 0.0006163 0.42429 1.71674
24 3CBG 4FE 0.005092 0.43478 1.72414
25 3CBG FER 0.00639 0.42148 1.72414
26 2WGC SIA GAL BGC 0.03275 0.40223 1.75439
27 2OFE NAG 0.000932 0.43573 2.11268
28 2OFD NGA 0.003861 0.41005 2.11268
29 1XX4 BAM 0.00318 0.43579 2.14592
30 1H16 PYR 0.004158 0.42239 2.14592
31 2DUA OXL 0.009249 0.40949 2.14592
32 3DLS ADP 0.01581 0.40679 2.14592
33 1WDA BAG 0.001294 0.40609 2.14592
34 2EB5 OXL 0.005693 0.40302 2.14592
35 2WQP WQP 0.02352 0.40085 2.14592
36 2JC9 ADN 0.0026 0.40064 2.14592
37 4TMK T5A 0.04594 0.43234 2.34742
38 3UBW 6SP 0.0005406 0.4991 2.57511
39 2ZWS PLM 0.0005816 0.4936 2.57511
40 3I7S PYR 0.001315 0.44495 2.57511
41 4B9E FAH 0.002098 0.4281 2.57511
42 3DDN HPV 0.001469 0.42081 2.57511
43 4DXJ IPE 0.002798 0.41567 2.57511
44 2VDJ HSE 0.01044 0.4043 2.57511
45 4CIB 7UZ 0.003793 0.4043 2.57511
46 1NML CIT 0.002819 0.40137 2.57511
47 3LEK BCW 0.01143 0.41028 2.61438
48 3ZLM ANP 0.002846 0.42961 2.65957
49 1V7R CIT 0.003101 0.44544 2.68817
50 1T3D CYS 0.004374 0.41428 2.76817
51 2P41 G1G 0.0001508 0.43623 2.95082
52 2IZ1 ATR 0.000072 0.48196 3.00429
53 1G0V NAG 0.0009894 0.48087 3.00429
54 1YOA FMN 0.001789 0.46823 3.00429
55 2V7T SAH 0.01322 0.45343 3.00429
56 1IYE PGU 0.003831 0.44161 3.00429
57 4ME6 ADP 0.001061 0.42646 3.00429
58 9LDT OXM 0.007533 0.42635 3.00429
59 2GDZ NAD 0.01021 0.42106 3.00429
60 9LDB OXM 0.01562 0.41061 3.00429
61 4BT5 23B 0.001022 0.40748 3.00429
62 3BLI PYR 0.006576 0.40661 3.00429
63 2EFJ 37T 0.004705 0.4036 3.00429
64 2X2T GAL NGA 0.006059 0.42257 3.26797
65 1SC3 MLI 0.0009804 0.45071 3.37079
66 4P9Z NMI PTR 02K ASN NH2 0.002771 0.40136 3.4188
67 3IHB TRS 0.0000107 0.62993 3.43348
68 1HQL GLA MBG 0.001042 0.44125 3.43348
69 4GYW UDP 0.005698 0.43505 3.43348
70 3PNL ADP 0.003186 0.43313 3.43348
71 4O8A 2OP 0.004307 0.42957 3.43348
72 1WHT BZS 0.002533 0.41767 3.43348
73 2Q37 3AL 0.002014 0.41532 3.43348
74 5X30 HCS 0.0238 0.41402 3.43348
75 3CQ5 PMP 0.001508 0.40319 3.43348
76 3PMA SCR 0.002588 0.40231 3.43348
77 3O03 GCO 0.008699 0.41514 3.43643
78 3UCJ AZM 0.001131 0.40647 3.52423
79 1UW1 ADP 0.0005552 0.43772 3.75
80 1BTN I3P 0.002376 0.47224 3.77358
81 2HW1 FRU 0.0006953 0.43381 3.86266
82 3P3N AKG 0.00158 0.4262 3.86266
83 2XUM OGA 0.002087 0.42117 3.86266
84 1P72 THM 0.0009071 0.41931 3.86266
85 1I0Z OXM 0.008125 0.41655 3.86266
86 2Y0I AKG 0.002201 0.41378 3.86266
87 4C1K PEP 0.001484 0.40953 3.86266
88 1II5 GLU 0.002841 0.40933 3.86266
89 1X54 4AD 0.01775 0.40354 3.86266
90 3L6R MLI 0.008316 0.40218 3.86266
91 1RYI GOA 0.01098 0.42933 3.9267
92 4N7C AEF 0.004793 0.41256 3.97727
93 2XRH NIO 0.006462 0.40693 4
94 2J0W ASP 0.005406 0.4103 4.23163
95 2YIV YIV 0.0004418 0.46633 4.29185
96 1TDF NAP 0.006299 0.46225 4.29185
97 1TDF FAD 0.005046 0.45192 4.29185
98 4BAS GNP 0.002142 0.43882 4.29185
99 1M1B SPV 0.0005829 0.43688 4.29185
100 3TFC PEP 0.0002883 0.43661 4.29185
101 2YIV NBN 0.002401 0.42557 4.29185
102 1OMZ UD2 0.039 0.4071 4.29185
103 1Y7I SAL 0.001957 0.40702 4.29185
104 1CBF SAH 0.000116 0.40649 4.29185
105 3NNF AKG 0.004985 0.40543 4.29185
106 3F81 STT 0.0008497 0.46283 4.37158
107 1TUV VK3 0.004344 0.4294 4.38596
108 1DL7 NCH 0.02491 0.4085 4.46429
109 3SBZ MLI 0.001364 0.45313 4.72103
110 1GAD NAD 0.003437 0.43815 4.72103
111 1RY2 AMP 0.00333 0.43723 4.72103
112 3SQG COM 0.006016 0.43119 4.72103
113 1P9B HDA 0.001245 0.42368 4.72103
114 3PLN U5P 0.0007179 0.42095 4.72103
115 1YOE RIB 0.001146 0.40474 4.72103
116 1DXY COI 0.01533 0.40347 4.72103
117 2XI7 XI7 0.008677 0.43249 4.8913
118 2P1M IHP 0.01194 0.41263 5
119 2PYU IMP 0.002313 0.41291 5.02283
120 2IUW AKG 0.0006181 0.41546 5.04202
121 3WUD GLC GAL 0.007603 0.41054 5.14706
122 3ICV NAG 0.0004658 0.52246 5.15021
123 2C31 TZD 0.005933 0.46413 5.15021
124 2C31 ADP 0.005772 0.46413 5.15021
125 4HZO COA 0.00006168 0.46326 5.15021
126 3VPD BUA 0.003139 0.4588 5.15021
127 1XHL NDP 0.002304 0.45292 5.15021
128 2ZJ3 G6P 0.00231 0.43549 5.15021
129 3VPD CIT 0.007148 0.42748 5.15021
130 4B16 NAG 0.007304 0.42701 5.15021
131 2Q8H TF4 0.005469 0.42467 5.15021
132 4R33 SAH 0.01246 0.42072 5.15021
133 4R33 TRP 0.01246 0.42072 5.15021
134 4COQ SAN 0.002383 0.41877 5.15021
135 2Z9V PXM 0.001655 0.40834 5.15021
136 2Q1A 2KT 0.005688 0.40304 5.15021
137 2YD6 FLC 0.0004647 0.50019 5.18868
138 1KC7 PPR 0.00006846 0.4924 5.5794
139 3ZPG 5GP 0.0004093 0.47778 5.5794
140 2YVF FAD 0.002631 0.47502 5.5794
141 2YVF NAD 0.01056 0.4462 5.5794
142 1Z42 HBA 0.01272 0.43184 5.5794
143 1T0S BML 0.003621 0.4251 5.5794
144 3H22 B53 0.0002734 0.41978 5.5794
145 3RK0 AMP 0.00021 0.41459 5.5794
146 3ACT BGC 0.01158 0.40281 5.5794
147 1A5Z OXM 0.01147 0.40244 5.5794
148 1Z44 NPO 0.03609 0.4 5.5794
149 4N02 FNR 0.008424 0.44534 5.88235
150 2VQ5 HBA 0.005416 0.41026 5.97015
151 1GPJ CIT 0.001019 0.43412 6.00858
152 3K3G MMU 0.0009337 0.42318 6.00858
153 5YAS FAC 0.00259 0.41979 6.00858
154 3ZGE ASP 0.004961 0.41892 6.00858
155 2HFK E4H 0.0009018 0.41858 6.00858
156 4JLV ADP 0.022 0.40713 6.00858
157 2BOI MFU 0.0007145 0.42266 6.19469
158 2WCV FUC 0.0005062 0.40771 6.42857
159 1P9P SAH 0.001192 0.45174 6.43777
160 1FDJ 2FP 0.0006293 0.44792 6.43777
161 2BLE 5GP 0.01335 0.43989 6.43777
162 3CL7 HYN 0.003861 0.43282 6.43777
163 1FDJ 13P 0.0005012 0.43002 6.43777
164 4NAO AKG 0.002985 0.42147 6.43777
165 2W8Q SIN 0.007736 0.40354 6.43777
166 2ALG DAO 0.0004753 0.44042 6.52174
167 3WUC GLC GAL 0.0002405 0.46019 6.56934
168 1ZUW DGL 0.0008455 0.41257 6.61765
169 4HGP KDO 0.03643 0.40131 6.66667
170 1YFZ IMP 0.003647 0.40499 6.82927
171 3P7I P7I 0.0002265 0.44188 6.85358
172 3VPQ GSH 0.003989 0.40342 6.86275
173 1O9U ADZ 0.0008761 0.4622 6.86695
174 1RZM E4P 0.0007668 0.44702 6.86695
175 2PTZ PAH 0.001302 0.43972 6.86695
176 2OWZ CIT 0.001185 0.43139 6.86695
177 2XDQ MGX 0.004865 0.42708 6.86695
178 2XBP ATP 0.01638 0.42715 7.07965
179 1Y4Z PCI 0.001248 0.40996 7.11111
180 1Y7P RIP 0.003584 0.42531 7.17489
181 1PR9 NAP 0.000275 0.49627 7.29614
182 3KJI ADP 0.002267 0.42954 7.29614
183 2ZE3 AKG 0.001358 0.42218 7.29614
184 2O66 FLC 0.001431 0.42126 7.40741
185 4A6F SEP 0.00431 0.43836 7.5
186 4EXO PYR 0.004266 0.42189 7.53425
187 2W1A TSA 0.0007987 0.44086 7.62712
188 3FPZ AHZ 0.00277 0.48355 7.72532
189 3DAG FEG 0.00693 0.42313 7.72532
190 4M51 BEZ 0.006857 0.41257 7.72532
191 3E5P PPI 0.03888 0.40884 7.72532
192 2QGI UDP 0.003478 0.40581 7.72532
193 2V5E SCR 0.009721 0.42085 7.92079
194 2F2U M77 0.0003558 0.41819 8.15451
195 1SOW OXL 0.0112 0.40995 8.15451
196 1QH9 LAC 0.003205 0.41342 8.18966
197 1H8P PC 0.0007232 0.46613 8.25688
198 2Q3M MLA 0.00006462 0.51556 8.58369
199 1R37 NAD 0.0002555 0.49913 8.58369
200 1RYD GLC 0.000589 0.44402 8.58369
201 2R00 OEG 0.002119 0.42792 8.58369
202 3RKR NAP 0.0005013 0.41183 8.58369
203 4RNV HBA 0.007114 0.4106 8.58369
204 2BGM NAJ 0.002444 0.47436 9.01288
205 2BGM MAX 0.008587 0.4175 9.01288
206 1Y42 TYR 0.001478 0.40982 9.01288
207 1YBH P22 0.0005764 0.40867 9.01288
208 1JAC AMG 0.009077 0.42233 9.02256
209 2D37 NAD 0.004595 0.43398 9.09091
210 2D37 FMN 0.004264 0.43398 9.09091
211 4FGC PQ0 0.001156 0.42497 9.09091
212 1E7S NAP 0.02004 0.41012 9.44206
213 1OIK AKG 0.004583 0.40695 9.44206
214 1WRA PC 0.008497 0.40177 9.44206
215 4JCA CIT 0.0009131 0.47169 9.87124
216 4M5P MLA 0.001765 0.45754 9.87124
217 4M5P 23W 0.004692 0.42002 9.87124
218 2DWU DGL 0.0005386 0.41863 9.87124
219 2JFV FLC 0.001059 0.43342 10.3004
220 4BI7 PGA 0.0007429 0.41252 10.3004
221 4G1V FAD 0.01925 0.40607 10.3004
222 3UDG TMP 0.002608 0.43986 11.1588
223 2NW9 FT6 0.001426 0.42132 11.588
224 2FMD MAN MAN 0.01266 0.40359 11.588
225 3SHR CMP 0.0003452 0.41706 12.3746
226 1V5F FAD 0.04 0.44355 12.4464
227 1V5F TPP 0.04 0.44355 12.4464
228 3C1O NAP 0.01214 0.41084 12.4464
229 2WCI GSH 0.003038 0.40817 12.5926
230 2BZ1 TAU 0.001384 0.47402 12.7551
231 3QV9 QV7 0.002802 0.40957 12.8755
232 3B8I OXL 0.003352 0.44376 13.7339
233 2W3L DRO 0.01507 0.40383 13.8889
234 4BC5 5FX 0.01436 0.40402 14.5923
235 1H2M OGA 0.002372 0.41885 15.3846
236 1GJW GLC 0.005389 0.41036 15.4506
237 2FPU HSO 0.001534 0.40468 15.9091
238 1PTR PRB 0.0002977 0.46479 18
239 4RJK PYR 0.005804 0.41584 18.4549
240 1H2K OGA 0.00221 0.42014 19.5122
241 2Q97 ATP 0.006311 0.42017 21.8884
242 1YAG ATP 0.008429 0.4163 21.8884
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