Receptor
PDB id Resolution Class Description Source Keywords
4EPL 2.01 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA GH3.11 (JAR1) IN C WITH JA-ILE ARABIDOPSIS THALIANA ANL ADENYLATING ENZYME ACYL ACID-AMIDO SYNTHETASE ADENYLATLIGASE
Ref.: STRUCTURAL BASIS FOR PRERECEPTOR MODULATION OF PLAN HORMONES BY GH3 PROTEINS. SCIENCE V. 336 1708 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
JAI A:601;
 Valid;
 none;
 submit data
323.427 C18 H29 N O4 CC/C=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EPL 2.01 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA GH3.11 (JAR1) IN C WITH JA-ILE ARABIDOPSIS THALIANA ANL ADENYLATING ENZYME ACYL ACID-AMIDO SYNTHETASE ADENYLATLIGASE
Ref.: STRUCTURAL BASIS FOR PRERECEPTOR MODULATION OF PLAN HORMONES BY GH3 PROTEINS. SCIENCE V. 336 1708 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 4EPL - JAI C18 H29 N O4 CC/C=CC[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 4EPL - JAI C18 H29 N O4 CC/C=CC[C@....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4B2G - V1N C19 H21 N6 O7 P c1ccc2c(c1....
2 4EPL - JAI C18 H29 N O4 CC/C=CC[C@....
3 5KOD - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 6E1Q - CFA C8 H6 Cl2 O3 c1cc(c(cc1....
5 4EQL - SAL C7 H6 O3 c1ccc(c(c1....
6 6OMS - AMP C10 H14 N5 O7 P c1nc(c2c(n....
7 4EPM - AMP C10 H14 N5 O7 P c1nc(c2c(n....
8 4EQ4 - SAL C7 H6 O3 c1ccc(c(c1....
9 7DK8 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: JAI; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 JAI 1 1
2 JAA 0.59375 0.65
Similar Ligands (3D)
Ligand no: 1; Ligand: JAI; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4EPL; Ligand: JAI; 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: 4epl.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4EPL; Ligand: JAI; 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: 4epl.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4EPL; Ligand: JAI; 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: 4epl.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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