Receptor
PDB id Resolution Class Description Source Keywords
1TT8 1 Å EC: 4.1.3.40 CHORISMATE LYASE WITH PRODUCT, 1.0 A RESOLUTION ESCHERICHIA COLI NEW FOLD UBIQUINONE PATHWAY 123654 ANTIPARALLEL SHEET LYA
Ref.: STRUCTURAL ANALYSIS OF LIGAND BINDING AND CATALYSIS CHORISMATE LYASE. ARCH.BIOCHEM.BIOPHYS. V. 445 72 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PHB A:400;
Valid;
none;
submit data
138.121 C7 H6 O3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TT8 1 Å EC: 4.1.3.40 CHORISMATE LYASE WITH PRODUCT, 1.0 A RESOLUTION ESCHERICHIA COLI NEW FOLD UBIQUINONE PATHWAY 123654 ANTIPARALLEL SHEET LYA
Ref.: STRUCTURAL ANALYSIS OF LIGAND BINDING AND CATALYSIS CHORISMATE LYASE. ARCH.BIOCHEM.BIOPHYS. V. 445 72 2006
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1FW9 - PHB C7 H6 O3 c1cc(ccc1C....
2 1TT8 - PHB C7 H6 O3 c1cc(ccc1C....
3 1JD3 - PHB C7 H6 O3 c1cc(ccc1C....
4 2AHC - VNL C8 H7 O4 COc1cc(ccc....
5 1XLR - VNL C8 H7 O4 COc1cc(ccc....
6 1G1B - PHB C7 H6 O3 c1cc(ccc1C....
7 1G81 - PHB C7 H6 O3 c1cc(ccc1C....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1FW9 - PHB C7 H6 O3 c1cc(ccc1C....
2 1TT8 - PHB C7 H6 O3 c1cc(ccc1C....
3 1JD3 - PHB C7 H6 O3 c1cc(ccc1C....
4 2AHC - VNL C8 H7 O4 COc1cc(ccc....
5 1XLR - VNL C8 H7 O4 COc1cc(ccc....
6 1G1B - PHB C7 H6 O3 c1cc(ccc1C....
7 1G81 - PHB C7 H6 O3 c1cc(ccc1C....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1FW9 - PHB C7 H6 O3 c1cc(ccc1C....
2 1TT8 - PHB C7 H6 O3 c1cc(ccc1C....
3 1JD3 - PHB C7 H6 O3 c1cc(ccc1C....
4 2AHC - VNL C8 H7 O4 COc1cc(ccc....
5 1XLR - VNL C8 H7 O4 COc1cc(ccc....
6 1G1B - PHB C7 H6 O3 c1cc(ccc1C....
7 1G81 - 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 : 1TT8; 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: 1tt8.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback