Receptor
PDB id Resolution Class Description Source Keywords
3A2Q 1.8 Å EC: 3.5.2.12 STRUCTURE OF 6-AMINOHEXANOATE CYCLIC DIMER HYDROLASE COMPLEX SUBSTRATE ARTHROBACTER SP. ALPHA/BETA FOLD HYDROLASE NYLON DEGRADATION
Ref.: X-RAY CRYSTALLOGRAPHIC ANALYSIS OF THE 6-AMINOHEXAN CYCLIC DIMER HYDROLASE: CATALYTIC MECHANISM AND EVO AN ENZYME RESPONSIBLE FOR NYLON-6 BYPRODUCT DEGRADA J.BIOL.CHEM. V. 285 1239 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACA ACA A:601;
Valid;
none;
submit data
226.32 n/a O=C1N...
GOL A:603;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3A2Q 1.8 Å EC: 3.5.2.12 STRUCTURE OF 6-AMINOHEXANOATE CYCLIC DIMER HYDROLASE COMPLEX SUBSTRATE ARTHROBACTER SP. ALPHA/BETA FOLD HYDROLASE NYLON DEGRADATION
Ref.: X-RAY CRYSTALLOGRAPHIC ANALYSIS OF THE 6-AMINOHEXAN CYCLIC DIMER HYDROLASE: CATALYTIC MECHANISM AND EVO AN ENZYME RESPONSIBLE FOR NYLON-6 BYPRODUCT DEGRADA J.BIOL.CHEM. V. 285 1239 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3A2Q - ACA ACA n/a n/a
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 3A2Q - ACA ACA n/a n/a
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 3A2Q - ACA ACA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACA ACA; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 ACA ACA 1 1
2 ICC 1 0.757576
3 BAQ 0.6 0.735294
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3A2Q; Ligand: ACA ACA; 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: 3a2q.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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