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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 173 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: 24
This union binding pocket(no: 1) in the query (biounit: 2j5s.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2GTE VA None
2 1DB1 VDX 1.5444
3 4MNS 2AX 1.88679
4 2B5W NAP 1.90114
5 4OAG ADP 1.90114
6 3JYR ACR 2.28137
7 6F4W FMC 2.57511
8 1G2N EPH 2.6616
9 5H7N MTT 2.6616
10 2ZQ0 ACR 3.04183
11 1N9G NAP 3.04183
12 2PHN GDP 3.14961
13 1YRO GDU 3.25203
14 4Q9M 2ZW 3.25203
15 3U40 ADN 3.30579
16 3N2O AG2 3.80228
17 1KDK DHT 3.9548
18 4XOQ F42 4.83092
19 5SVV FMN 5.10949
20 1KEV NDP 5.32319
21 5E7V M7E 5.70342
22 5H5A 6OU 6.66667
23 1H16 PYR 6.84411
24 5JZJ AN2 8.36502
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: 6
This union binding pocket(no: 4) in the query (biounit: 2j5s.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3FSM 2NC None
2 5ZFJ 9BF 2.20264
3 4W4S B29 2.28137
4 2J62 GSZ 2.6616
5 3D72 FAD 2.68456
6 4Q0A 4OA 5.70342
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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