Receptor
PDB id Resolution Class Description Source Keywords
6E1Q 2.15 Å EC: 6.3.2.- ATGH3.15 ACYL ACID AMIDO SYNTHETASE IN COMPLEX WITH 2,4-DB ARABIDOPSIS THALIANA HORMONE MODIFICATION ADENYLATING ENZYME ACYL ACID-AMIDO SYADENYLATION LIGASE PLANT PROTEIN
Ref.: MODIFICATION OF AUXINIC PHENOXYALKANOIC ACID HERBIC THE ACYL ACID AMIDO SYNTHETASE GH3.15 FROM ARABIDOP J. BIOL. CHEM. V. 293 17731 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CFA A:602;
A:603;
Valid;
Valid;
none;
none;
submit data
221.037 C8 H6 Cl2 O3 c1cc(...
PO4 A:601;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6E1Q 2.15 Å EC: 6.3.2.- ATGH3.15 ACYL ACID AMIDO SYNTHETASE IN COMPLEX WITH 2,4-DB ARABIDOPSIS THALIANA HORMONE MODIFICATION ADENYLATING ENZYME ACYL ACID-AMIDO SYADENYLATION LIGASE PLANT PROTEIN
Ref.: MODIFICATION OF AUXINIC PHENOXYALKANOIC ACID HERBIC THE ACYL ACID AMIDO SYNTHETASE GH3.15 FROM ARABIDOP J. BIOL. CHEM. V. 293 17731 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 36 families.
1 6E1Q - CFA C8 H6 Cl2 O3 c1cc(c(cc1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 6E1Q - CFA C8 H6 Cl2 O3 c1cc(c(cc1....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 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 4EPM - AMP C10 H14 N5 O7 P c1nc(c2c(n....
7 4EQ4 - SAL C7 H6 O3 c1ccc(c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CFA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 CFA 1 1
2 F52 0.488889 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6E1Q; Ligand: CFA; 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: 6e1q.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6E1Q; Ligand: CFA; 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: 6e1q.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback