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: 6
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 HRG 0.410256 0.757576
6 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: 11
This union binding pocket(no: 1) in the query (biounit: 3n2o.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2D24 XYS XYS 0.01299 0.41117 2.06422
2 4W6Z 8ID 0.03635 0.41332 3.45821
3 2J5S KTA 0.0125 0.40306 3.80228
4 2ZQO NGA 0.01893 0.40048 4.61538
5 4RGQ 1GP 0.01531 0.43209 5.97826
6 3I54 CMP 0.02168 0.40161 6.0241
7 4DOO DAO 0.008929 0.42324 6.82927
8 2PLK P3D 0.02979 0.40061 9.06921
9 1MDC PLM 0.02944 0.40379 9.84848
10 4C0R GDS 0.03281 0.40199 12.9032
11 1TUF AZ1 0.001739 0.46902 23.7327
Pocket No.: 2; Query (leader) PDB : 3N2O; Ligand: AG2; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3N2O; Ligand: AG2; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3N2O; Ligand: AG2; Similar sites found: 8
This union binding pocket(no: 4) in the query (biounit: 3n2o.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1EBG PAH 0.02215 0.4048 4.12844
2 3ZJ0 ACO 0.03754 0.40054 4.36893
3 2CWH NDP 0.03694 0.40665 4.66472
4 1FEC FAD 0.04802 0.4141 4.69388
5 4JDI ANP 0.02773 0.40189 6.6474
6 3UUD EST 0.02072 0.40126 9.16335
7 1KO0 LYS 0.0006094 0.42486 19.5294
8 3BU5 ATP 0.01645 0.40961 40
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