Receptor
PDB id Resolution Class Description Source Keywords
4DBH 1.94 Å EC: 5.3.3.- CRYSTAL STRUCTURE OF CG1458 WITH INHIBITOR CORYNEBACTERIUM GLUTAMICUM OXALOACETATE DECARBOXYLASE OXALATE MG++ ISOMERASE
Ref.: CRYSTAL STRUCTURES OF CG1458 REVEAL A CATALYTIC LID AND A COMMON CATALYTIC MECHANISM FOR FAH FAMILY. BIOCHEM.J. V. 449 51 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:401;
B:401;
B:403;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
OXL A:402;
B:402;
Valid;
Valid;
none;
none;
submit data
88.019 C2 O4 C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DBH 1.94 Å EC: 5.3.3.- CRYSTAL STRUCTURE OF CG1458 WITH INHIBITOR CORYNEBACTERIUM GLUTAMICUM OXALOACETATE DECARBOXYLASE OXALATE MG++ ISOMERASE
Ref.: CRYSTAL STRUCTURES OF CG1458 REVEAL A CATALYTIC LID AND A COMMON CATALYTIC MECHANISM FOR FAH FAMILY. BIOCHEM.J. V. 449 51 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4DBH - OXL C2 O4 C(=O)(C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4DBH - OXL C2 O4 C(=O)(C(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4DBH - OXL C2 O4 C(=O)(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OXL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OXL 1 1
2 MLI 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4DBH; Ligand: OXL; Similar sites found with APoc: 12
This union binding pocket(no: 1) in the query (biounit: 4dbh.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 6J5Y PYR 41.0042
2 6J5X PYR 41.4634
3 6JVW PYR 42.3611
4 6JVW PYR 42.3611
5 6FOG OXL 46.875
6 6FOG OXL 46.875
7 6FOG OXL 46.875
8 6FOG OXL 46.875
9 6FOG OXL 46.875
10 6FOG OXL 46.875
11 6FOG OXL 46.875
12 6FOG OXL 46.875
Pocket No.: 2; Query (leader) PDB : 4DBH; Ligand: OXL; Similar sites found with APoc: 12
This union binding pocket(no: 2) in the query (biounit: 4dbh.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 6J5Y PYR 41.0042
2 6J5X PYR 41.4634
3 6JVW PYR 42.3611
4 6JVW PYR 42.3611
5 6FOG OXL 46.875
6 6FOG OXL 46.875
7 6FOG OXL 46.875
8 6FOG OXL 46.875
9 6FOG OXL 46.875
10 6FOG OXL 46.875
11 6FOG OXL 46.875
12 6FOG OXL 46.875
APoc FAQ
Feedback