Receptor
PDB id Resolution Class Description Source Keywords
3N2O 2.3 Å EC: 4.1.1.19 X-RAY CRYSTAL STRUCTURE OF ARGININE DECARBOXYLASE COMPLEXED ARGININE FROM VIBRIO VULNIFICUS VIBRIO VULNIFICUS LYASE
Ref.: EVOLUTION OF SUBSTRATE SPECIFICITY WITHIN A DIVERSE OF BETA/ALPHA-BARREL-FOLD BASIC AMINO ACID DECARBOX X-RAY STRUCTURE DETERMINATION OF ENZYMES WITH SPECI FOR L-ARGININE AND CARBOXYNORSPERMIDINE. J.BIOL.CHEM. V. 285 25708 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AG2 A:1002;
B:1002;
C:1002;
D:1002;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
130.191 C5 H14 N4 C(CCN...
PLP A:1001;
B:1001;
C:1001;
D:1001;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3N2O 2.3 Å EC: 4.1.1.19 X-RAY CRYSTAL STRUCTURE OF ARGININE DECARBOXYLASE COMPLEXED ARGININE FROM VIBRIO VULNIFICUS VIBRIO VULNIFICUS LYASE
Ref.: EVOLUTION OF SUBSTRATE SPECIFICITY WITHIN A DIVERSE OF BETA/ALPHA-BARREL-FOLD BASIC AMINO ACID DECARBOX X-RAY STRUCTURE DETERMINATION OF ENZYMES WITH SPECI FOR L-ARGININE AND CARBOXYNORSPERMIDINE. J.BIOL.CHEM. V. 285 25708 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3N2O - AG2 C5 H14 N4 C(CCNC(=N)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3N2O - AG2 C5 H14 N4 C(CCNC(=N)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3N2O - AG2 C5 H14 N4 C(CCNC(=N)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AG2; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AG2 1 1
2 GZZ 0.5 0.862069
3 GVA 0.470588 0.78125
4 IAR 0.416667 0.727273
5 JX7 0.416667 0.666667
6 HRG 0.410256 0.757576
7 19N 0.4 0.625
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3N2O; Ligand: AG2; 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: 3n2o.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3N2O; Ligand: AG2; 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: 3n2o.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3N2O; Ligand: AG2; 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: 3n2o.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3N2O; Ligand: AG2; 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: 3n2o.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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