Receptor
PDB id Resolution Class Description Source Keywords
2OKK 2.3 Å EC: 4.1.1.15 THE X-RAY CRYSTAL STRUCTURE OF THE 65KDA ISOFORM OF GLUTAMIC DECARBOXYLASE (GAD65) HOMO SAPIENS PLP-DEPENDENT DECARBOXYLASE LYASE
Ref.: GABA PRODUCTION BY GLUTAMIC ACID DECARBOXYLASE IS R BY A DYNAMIC CATALYTIC LOOP. NAT.STRUCT.MOL.BIOL. V. 14 280 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ABU A:585;
A:586;
Valid;
Valid;
none;
none;
submit data
103.12 C4 H9 N O2 C(CC(...
GOL A:587;
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
2OKK 2.3 Å EC: 4.1.1.15 THE X-RAY CRYSTAL STRUCTURE OF THE 65KDA ISOFORM OF GLUTAMIC DECARBOXYLASE (GAD65) HOMO SAPIENS PLP-DEPENDENT DECARBOXYLASE LYASE
Ref.: GABA PRODUCTION BY GLUTAMIC ACID DECARBOXYLASE IS R BY A DYNAMIC CATALYTIC LOOP. NAT.STRUCT.MOL.BIOL. V. 14 280 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2OKK - ABU C4 H9 N O2 C(CC(=O)O)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2OKK - ABU C4 H9 N O2 C(CC(=O)O)....
2 3VP6 - HLD C7 H4 O6 C1=C(OC(=C....
3 2OKJ - ABU PLZ n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2OKK - ABU C4 H9 N O2 C(CC(=O)O)....
2 3VP6 - HLD C7 H4 O6 C1=C(OC(=C....
3 2OKJ - ABU PLZ n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ABU; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 ABU 1 1
2 BAL 0.631579 0.833333
3 ACA 0.625 0.916667
4 011 0.6 0.88
5 8AC 0.576923 0.88
6 GLY 0.473684 0.708333
7 SHO 0.44 0.64
8 7C3 0.428571 0.814815
9 DAV 0.423077 0.916667
10 UN1 0.4 0.678571
11 11C 0.4 0.678571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2OKK; Ligand: ABU; 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: 2okk.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2OKK; Ligand: ABU; 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: 2okk.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2OKK; Ligand: ABU; 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: 2okk.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2OKK; Ligand: ABU; 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: 2okk.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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