Receptor
PDB id Resolution Class Description Source Keywords
3HPY 1.94 Å EC: 1.13.11.2 CRYSTAL STRUCTURE ANALYSIS OF THE 2,3-DIOXYGENASE LAPB FROM PSEUDOMONAS IN THE COMPLEX WITH 4-METHYLCATECHOL PSEUDOMONAS SP. KL28 REPEATED MOTIFS AROMATIC HYDROCARBONS CATABOLISM DIOXYGENAOXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL ANALYSIS OF THE EX DIOXYGENASE LAPB FROM A LONG-CHAIN ALKYLPHENOL DEGR PATHWAY IN PSEUDOMONAS J.BIOL.CHEM. V. 284 34321 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE A:310;
B:310;
C:310;
D:310;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
MCT A:311;
B:311;
C:311;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
124.137 C7 H8 O2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HPY 1.94 Å EC: 1.13.11.2 CRYSTAL STRUCTURE ANALYSIS OF THE 2,3-DIOXYGENASE LAPB FROM PSEUDOMONAS IN THE COMPLEX WITH 4-METHYLCATECHOL PSEUDOMONAS SP. KL28 REPEATED MOTIFS AROMATIC HYDROCARBONS CATABOLISM DIOXYGENAOXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL ANALYSIS OF THE EX DIOXYGENASE LAPB FROM A LONG-CHAIN ALKYLPHENOL DEGR PATHWAY IN PSEUDOMONAS J.BIOL.CHEM. V. 284 34321 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HQ0 - M3P C7 H8 O4 CC(=O)C=CC....
2 3HPY - MCT C7 H8 O2 Cc1ccc(c(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HQ0 - M3P C7 H8 O4 CC(=O)C=CC....
2 3HPY - MCT C7 H8 O2 Cc1ccc(c(c....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HQ0 - M3P C7 H8 O4 CC(=O)C=CC....
2 3HPY - MCT C7 H8 O2 Cc1ccc(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MCT; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 MCT 1 1
2 2AC 0.482759 0.615385
3 HT4 0.482759 0.727273
4 IPB 0.4375 0.7
5 54G 0.424242 0.695652
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HPY; Ligand: MCT; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 3hpy.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2IGA XX3 42.3948
2 2IGA XX2 42.3948
Pocket No.: 2; Query (leader) PDB : 3HPY; Ligand: MCT; 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: 3hpy.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3HPY; Ligand: MCT; 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: 3hpy.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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