Receptor
PDB id Resolution Class Description Source Keywords
4EYG 1.86 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF SOLUTE BINDING PROTEIN OF ABC TRANSPORT RHODOPSEUDOMONAS PALUSTRIS BISB5 IN COMPLEX WITH VANILLIC A 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
EDO A:402;
B:401;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
IPA A:403;
B:403;
Invalid;
Invalid;
none;
none;
submit data
60.095 C3 H8 O CC(C)...
VNL A:401;
B:402;
Valid;
Valid;
none;
none;
submit data
167.139 C8 H7 O4 COc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EYG 1.86 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF SOLUTE BINDING PROTEIN OF ABC TRANSPORT RHODOPSEUDOMONAS PALUSTRIS BISB5 IN COMPLEX WITH VANILLIC A 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 (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 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....
70% 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 4EYG - VNL C8 H7 O4 COc1cc(ccc....
2 4EYK - DHB C7 H6 O4 c1cc(c(cc1....
3 4EY3 - 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: VNL; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 VNL 1 1
2 VXX 0.595238 0.88
3 YTX 0.408163 0.814815
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4EYG; Ligand: VNL; 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: 4eyg.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4EYG; Ligand: VNL; 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: 4eyg.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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