Receptor
PDB id Resolution Class Description Source Keywords
2F7A 1.9 Å NON-ENZYME: TRANSCRIPT_TRANSLATE BENM EFFECTOR BINDING DOMAIN WITH ITS EFFECTOR, CIS,CIS-MUCO 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
ACT B:1004;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
BEZ A:1003;
B:1002;
Valid;
Valid;
none;
none;
Kd = 1 mM
122.121 C7 H6 O2 c1ccc...
CCU B:1001;
Valid;
none;
Kd = 0.12 mM
142.109 C6 H6 O4 C(=C/...
SO4 B:1005;
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
2F7A 1.9 Å NON-ENZYME: TRANSCRIPT_TRANSLATE BENM EFFECTOR BINDING DOMAIN WITH ITS EFFECTOR, CIS,CIS-MUCO 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 (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 309 families.
1 2F78 Kd = 1 mM BEZ C7 H6 O2 c1ccc(cc1)....
2 2F7A Kd = 1 mM BEZ C7 H6 O2 c1ccc(cc1)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 2F78 Kd = 1 mM BEZ C7 H6 O2 c1ccc(cc1)....
2 2F7A Kd = 1 mM BEZ C7 H6 O2 c1ccc(cc1)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 221 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: BEZ; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 BEZ 1 1
2 173 0.555556 0.666667
3 8OZ 0.517241 0.625
4 8G0 0.481481 0.714286
5 1Y6 0.464286 0.666667
6 NIO 0.433333 0.625
7 PHB 0.428571 0.625
8 PHT 0.423077 0.625
9 3HB 0.419355 0.625
10 4MA 0.413793 0.909091
11 174 0.413793 0.666667
12 Z82 0.413793 0.666667
13 MBO 0.413793 0.769231
14 3BZ 0.40625 0.666667
15 OVV 0.40625 0.909091
Ligand no: 2; 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 : 2F7A; 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: 2f7a.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2F7A; Ligand: BEZ; 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: 2f7a.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2F7A; Ligand: BEZ; 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: 2f7a.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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