Receptor
PDB id Resolution Class Description Source Keywords
2GWC 2.18 Å EC: 6.3.2.2 CRYSTAL STRUCTURE OF PLANT GLUTAMATE CYSTEINE LIGASE IN COMP TRANSITION STATE ANALOGUE BRASSICA JUNCEA DISULFIDE BRIDGES GLUTATHIONE BIOSYNTHESIS BETA-HAIRPIN RREGULATION LIGASE
Ref.: STRUCTURAL BASIS FOR THE REDOX CONTROL OF PLANT GLU CYSTEINE LIGASE. J.BIOL.CHEM. V. 281 27557 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BSC A:2;
B:2;
C:2;
D:2;
E:2;
F:2;
G:2;
H:2;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
222.305 C8 H18 N2 O3 S CCCCS...
MG A:1;
B:1;
C:1;
D:1;
E:1;
F:1;
G:1;
H:1;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GWD 2.09 Å EC: 6.3.2.2 CRYSTAL STRUCTURE OF PLANT GLUTAMATE CYSTEINE LIGASE IN COMP MG2+ AND L-GLUTAMATE BRASSICA JUNCEA DISULFIDE BRIDGES GLUTATHIONE BIOSYNTHESIS BETA-HAIRPIN RREGULATION LIGASE
Ref.: STRUCTURAL BASIS FOR THE REDOX CONTROL OF PLANT GLU CYSTEINE LIGASE. J.BIOL.CHEM. V. 281 27557 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2GWC - BSC C8 H18 N2 O3 S CCCCS(=N)(....
2 2GWD - GLU C5 H9 N O4 C(CC(=O)O)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2GWC - BSC C8 H18 N2 O3 S CCCCS(=N)(....
2 2GWD - GLU C5 H9 N O4 C(CC(=O)O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2GWC - BSC C8 H18 N2 O3 S CCCCS(=N)(....
2 2GWD - GLU C5 H9 N O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BSC; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 BSC 1 1
2 MSL 0.55 0.90566
3 LBP 0.480769 0.866667
Similar Ligands (3D)
Ligand no: 1; Ligand: BSC; Similar ligands found: 2
No: Ligand Similarity coefficient
1 ALY 0.8904
2 IPE 0.8587
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GWD; Ligand: GLU; 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: 2gwd.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2GWD; Ligand: GLU; 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: 2gwd.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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