Receptor
PDB id Resolution Class Description Source Keywords
4F06 1.3 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF SOLUTE BINDING PROTEIN OF ABC TRANSPORT RHODOPSEUDOMONAS PALUSTRIS HAA2 RPB_2270 IN COMPLEX WITH P-H YDROXYBENZOIC ACID RHODOPSEUDOMONAS PALUSTRIS PSI-BIOLOGY MCSG MIDWEST CENTER FOR STRUCTURAL GENOMICS TRANSPORTER LIGNIN DEGRADATION PRODUCT TRANSPORT PROTEIN
Ref.: CHARACTERIZATION OF TRANSPORT PROTEINS FOR AROMATIC COMPOUNDS DERIVED FROM LIGNIN: BENZOATE DERIVATIVE PROTEINS. J.MOL.BIOL. V. 423 555 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:408;
A:409;
A:410;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NA A:411;
Invalid;
none;
submit data
22.99 Na [Na+]
PHB A:401;
A:402;
Valid;
Valid;
none;
none;
submit data
138.121 C7 H6 O3 c1cc(...
SO4 A:403;
A:404;
A:405;
A:406;
A:407;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4F06 1.3 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF SOLUTE BINDING PROTEIN OF ABC TRANSPORT RHODOPSEUDOMONAS PALUSTRIS HAA2 RPB_2270 IN COMPLEX WITH P-H YDROXYBENZOIC ACID RHODOPSEUDOMONAS PALUSTRIS PSI-BIOLOGY MCSG MIDWEST CENTER FOR STRUCTURAL GENOMICS TRANSPORTER LIGNIN DEGRADATION PRODUCT TRANSPORT PROTEIN
Ref.: CHARACTERIZATION OF TRANSPORT PROTEINS FOR AROMATIC COMPOUNDS DERIVED FROM LIGNIN: BENZOATE DERIVATIVE PROTEINS. J.MOL.BIOL. V. 423 555 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 4F06 - PHB C7 H6 O3 c1cc(ccc1C....
2 4EVS - PHB C7 H6 O3 c1cc(ccc1C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4F06 - PHB C7 H6 O3 c1cc(ccc1C....
2 4EVS - PHB C7 H6 O3 c1cc(ccc1C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 families.
1 4EYG - VNL C8 H7 O4 COc1cc(ccc....
2 4EYK - DHB C7 H6 O4 c1cc(c(cc1....
3 4EY3 - PHB C7 H6 O3 c1cc(ccc1C....
4 4F06 - PHB C7 H6 O3 c1cc(ccc1C....
5 4EVS - PHB C7 H6 O3 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PHB; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 PHB 1 1
2 AC6 0.592593 0.764706
3 DBE 0.555556 0.833333
4 MBO 0.482759 0.611111
5 ANN 0.451613 0.789474
6 HGB 0.451613 0.619048
7 HC4 0.441176 0.941176
8 BEZ 0.428571 0.625
9 HQE 0.409091 0.8125
10 4HP 0.40625 0.842105
11 34D 0.4 0.842105
12 EN1 0.4 0.761905
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4F06; Ligand: PHB; 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: 4f06.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4F06; Ligand: PHB; 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: 4f06.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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