Receptor
PDB id Resolution Class Description Source Keywords
2J5S 1.57 Å EC: 3.7.1.7 STRUCTURAL OF ABDH, A BETA-DIKETONE HYDROLASE FROM THE CYANOBACTERIUM ANABAENA SP. PCC 7120 BOUND TO (S)-3- O XOCYCLOHEXYL ACETIC ACID ANABAENA SP. ENZYME EVOLUTION C-C BOND HYDROLASE HYDROLASE LYASE CROTONASE BIOCATALYSIS BETA-DIKETONE
Ref.: STRUCTURAL CHARACTERISATION OF A BETA DIKETONE HYDROLASE FROM THE CYANOBACTERIUM ANABAENA SP. PCC 7120 IN NATIVE AND PRODUCT BOUND FORMS, A COENZYME A-INDEPENDENT MEMBER OF THE CROTONASE SUPRAFAMILY BIOCHEMISTRY V. 46 137 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KTA A:1253;
B:1253;
Valid;
Valid;
none;
none;
submit data
156.179 C8 H12 O3 C1C[C...
NI A:1254;
B:1254;
Invalid;
Invalid;
none;
none;
submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2J5S 1.57 Å EC: 3.7.1.7 STRUCTURAL OF ABDH, A BETA-DIKETONE HYDROLASE FROM THE CYANOBACTERIUM ANABAENA SP. PCC 7120 BOUND TO (S)-3- O XOCYCLOHEXYL ACETIC ACID ANABAENA SP. ENZYME EVOLUTION C-C BOND HYDROLASE HYDROLASE LYASE CROTONASE BIOCATALYSIS BETA-DIKETONE
Ref.: STRUCTURAL CHARACTERISATION OF A BETA DIKETONE HYDROLASE FROM THE CYANOBACTERIUM ANABAENA SP. PCC 7120 IN NATIVE AND PRODUCT BOUND FORMS, A COENZYME A-INDEPENDENT MEMBER OF THE CROTONASE SUPRAFAMILY BIOCHEMISTRY V. 46 137 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2J5S - KTA C8 H12 O3 C1C[C@@H](....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2J5S - KTA C8 H12 O3 C1C[C@@H](....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 193 families.
1 1SZO - CAX C10 H18 O3 C[C@@H]1C(....
2 2J5S - KTA C8 H12 O3 C1C[C@@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KTA; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 KTA 1 1
2 7N0 0.439024 0.863636
3 3OC 0.439024 0.818182
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2J5S; Ligand: KTA; 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: 2j5s.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2J5S; Ligand: KTA; 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: 2j5s.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2J5S; Ligand: KTA; 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: 2j5s.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2J5S; Ligand: KTA; 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: 2j5s.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2J5S; Ligand: KTA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2j5s.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2J5S; Ligand: KTA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2j5s.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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