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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 291 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 247 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 209 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 MAE 0.5625 1
3 FUM 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 with APoc: 50
This union binding pocket(no: 1) in the query (biounit: 2f7c.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3DLS ADP 2.14592
2 3S2U UD1 2.14592
3 5U5G 7VD 2.57511
4 2IHT TPP 2.57511
5 1UPA TPP 2.57511
6 3LEK BCW 2.61438
7 4YBN FAD 2.67857
8 5BYK OAQ 3.00429
9 5BYK A3P 3.00429
10 2OHH FMN 3.00429
11 4IV9 FAD 3.2316
12 5A5W GUO 3.43348
13 2AX9 BHM 3.86266
14 4RDI ATP 4.29185
15 4RDH AMP 4.29185
16 4FWE FAD 4.29185
17 1R27 MGD 4.72103
18 2HNK SAH 4.72103
19 5DOZ NDP 5.15021
20 1D1T NAD 5.15021
21 3OEN GLU 5.15021
22 3HBF MYC 5.15021
23 3B6Z CO7 5.15021
24 3HBF UDP 5.15021
25 1YY5 FAD 5.5794
26 1H74 ADP 5.5794
27 1H74 ILE 5.5794
28 3ACT BGC 5.5794
29 3R96 AMP 5.85106
30 3R96 ACO 5.85106
31 3BF1 ADP 6.00858
32 3OFK SAH 6.01852
33 5DXA SFG 6.43777
34 5DX1 SFG 6.43777
35 5DX8 SFG 6.43777
36 5DWQ SFG 6.43777
37 5DX0 SFG 6.43777
38 3NJ4 AFX 6.86695
39 1KQF MGD 7.29614
40 4OUC 5ID 7.29614
41 4FE2 AIR 7.45098
42 3FV1 DYH 7.72532
43 5O4F 8VE 8.15451
44 2Y88 2ER 8.58369
45 6FTB M0E 8.58369
46 3SLS ANP 9.01288
47 1T8U UAP SGN IDS SGN 10.7296
48 4XGX ADP 11.1588
49 4BC5 5FX 14.5923
50 5TED SKM 37.1681
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
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