Receptor
PDB id Resolution Class Description Source Keywords
4YAV 1.4 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF LIGG IN COMPLEX WITH B-GLUTATHIONYL- ACETOVERATRONE (GS-AV) FROM SPHINGOBIUM SP. STRAIN SYK-6 SPHINGOBIUM SP. SYK-6 GSH-LYASE GSH-DEPENDENT TRANSFERASE
Ref.: STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF THE LATE ENZYMES IN THE LIGNIN BETA-ARYL ETHER CLEAVAGE FROM SPHINGOBIUM SP. SYK-6. J.BIOL.CHEM. V. 291 10228 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:301;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
GAZ A:302;
Valid;
none;
submit data
485.508 C20 H27 N3 O9 S COc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4G10 1.2 Å EC: 2.-.-.- LIGG FROM SPHINGOBIUM SP. SYK-6 IS RELATED TO THE GLUTATHION TRANSFERASE OMEGA CLASS SPHINGOMONAS PAUCIMOBILIS THIOREDOXIN FOLD TRANSFERASE
Ref.: SPHINGOBIUM SP. SYK-6 LIGG INVOLVED IN LIGNIN DEGRA STRUCTURALLY AND BIOCHEMICALLY RELATED TO THE GLUTA TRANSFERASE OMEGA CLASS. FEBS LETT. V. 586 3944 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 4YAV - GAZ C20 H27 N3 O9 S COc1ccc(cc....
2 4G10 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 4YAV - GAZ C20 H27 N3 O9 S COc1ccc(cc....
2 4G10 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 4YAV - GAZ C20 H27 N3 O9 S COc1ccc(cc....
2 4G10 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAZ; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 GAZ 1 1
2 GSH 0.457831 0.679245
3 GSM 0.448276 0.703704
4 HGD 0.438202 0.62069
5 GS8 0.420455 0.6
6 GDS 0.420455 0.62069
7 48T 0.415094 0.714286
8 AHE 0.411111 0.654545
9 1R4 0.409524 0.626866
10 GDN 0.409524 0.614286
11 GBI 0.403846 0.701754
12 GNB 0.40367 0.608696
13 GSB 0.4 0.735849
14 L9X 0.4 0.602941
15 ESG 0.4 0.602941
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4G10; Ligand: GSH; 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: 4g10.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4G10; Ligand: GSH; 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: 4g10.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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