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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 11C 0.4 0.678571
11 UN1 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: 1
This union binding pocket(no: 1) in the query (biounit: 2okk.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3A4T SFG 7.66423
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: 20
This union binding pocket(no: 3) in the query (biounit: 2okk.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4D7E FAD 1.1655
2 6DIO CIT 1.3986
3 2Q8Y GLN TYR PHE MET TPO GLU PTR VAL ALA 2.48963
4 4FWE FAD 2.61569
5 6FDF SAH 3.29341
6 1SQL GUN 3.42466
7 4GUS FAD 4.03226
8 4GUT FAD 4.03226
9 1Y60 H4M 4.14201
10 1ML6 GBX 4.52489
11 2YG3 FAD 4.85651
12 5M58 SAH 5.21739
13 2JDU MFU 5.21739
14 1G8K MGD 5.26316
15 1VF1 GSH 6.55022
16 4TR1 GSH 7.6087
17 3BQ5 HCS 8.04829
18 2YCD GTB 10.8696
19 4KQ6 DLZ 12.8492
20 5C2N NAG 14.5833
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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