Receptor
PDB id Resolution Class Description Source Keywords
3B8I 1.9 Å EC: 4.1.1.3 CRYSTAL STRUCTURE OF OXALOACETATE DECARBOXYLASE FROM PSEUDOM AERUGINOSA (PA4872) IN COMPLEX WITH OXALATE AND MG2+. PSEUDOMONAS AERUGINOSA ALPHA/BETA BARREL HELIX SWAPPING LYASE
Ref.: STRUCTURE AND FUNCTION OF PA4872 FROM PSEUDOMONAS AERUGINOSA, A NOVEL CLASS OF OXALOACETATE DECARBOXY THE PEP MUTASE/ISOCITRATE LYASE SUPERFAMILY. BIOCHEMISTRY V. 47 167 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:290;
A:291;
B:290;
B:291;
D:290;
E:290;
E:291;
F:290;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:289;
B:289;
C:289;
D:289;
E:289;
F:289;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
OXL A:288;
B:288;
C:288;
D:288;
E:288;
F:288;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
Ki = 4 uM
88.019 C2 O4 C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3B8I 1.9 Å EC: 4.1.1.3 CRYSTAL STRUCTURE OF OXALOACETATE DECARBOXYLASE FROM PSEUDOM AERUGINOSA (PA4872) IN COMPLEX WITH OXALATE AND MG2+. PSEUDOMONAS AERUGINOSA ALPHA/BETA BARREL HELIX SWAPPING LYASE
Ref.: STRUCTURE AND FUNCTION OF PA4872 FROM PSEUDOMONAS AERUGINOSA, A NOVEL CLASS OF OXALOACETATE DECARBOXY THE PEP MUTASE/ISOCITRATE LYASE SUPERFAMILY. BIOCHEMISTRY V. 47 167 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3B8I Ki = 4 uM 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 1 families.
1 3B8I Ki = 4 uM 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 1 families.
1 3B8I Ki = 4 uM 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 : 3B8I; Ligand: OXL; 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: 3b8i.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3B8I; Ligand: OXL; 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: 3b8i.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3B8I; Ligand: OXL; 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: 3b8i.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3B8I; Ligand: OXL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3b8i.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3B8I; Ligand: OXL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3b8i.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3B8I; Ligand: OXL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3b8i.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3B8I; Ligand: OXL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3b8i.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3B8I; Ligand: OXL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3b8i.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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