Receptor
PDB id Resolution Class Description Source Keywords
6F05 2.2 Å EC: 2.5.1.18 ARABIDOPSIS THALIANA GSTF9, GSO3 BOUND ARABIDOPSIS THALIANA TRANSFERASE PHI CLASS PEROXIDASE GSO3
Ref.: REDOX-REGULATED METHIONINE OXIDATION OF ARABIDOPSIS GLUTATHIONE TRANSFERASE PHI9 INDUCES H-SITE FLEXIBI PROTEIN SCI. V. 28 56 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTS I:301;
A:301;
G:301;
J:301;
E:301;
F:301;
C:301;
D:301;
H:301;
B:301;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
Ki = 34 uM
355.322 C10 H17 N3 O9 S C(CC(...
GOL B:303;
A:302;
B:302;
A:303;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
CL E:302;
D:302;
A:304;
I:302;
F:302;
G:302;
C:302;
H:302;
B:304;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6F05 2.2 Å EC: 2.5.1.18 ARABIDOPSIS THALIANA GSTF9, GSO3 BOUND ARABIDOPSIS THALIANA TRANSFERASE PHI CLASS PEROXIDASE GSO3
Ref.: REDOX-REGULATED METHIONINE OXIDATION OF ARABIDOPSIS GLUTATHIONE TRANSFERASE PHI9 INDUCES H-SITE FLEXIBI PROTEIN SCI. V. 28 56 2019
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 58 families.
1 6F05 Ki = 34 uM GTS C10 H17 N3 O9 S C(CC(=O)N[....
2 6EZY - GSH C10 H17 N3 O6 S C(CC(=O)N[....
3 6F01 - GTS C10 H17 N3 O9 S C(CC(=O)N[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 39 families.
1 6F05 Ki = 34 uM GTS C10 H17 N3 O9 S C(CC(=O)N[....
2 6EZY - GSH C10 H17 N3 O6 S C(CC(=O)N[....
3 6F01 - GTS C10 H17 N3 O9 S C(CC(=O)N[....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1AXD - GGL CYW GLY n/a n/a
2 5F06 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
3 6F05 Ki = 34 uM GTS C10 H17 N3 O9 S C(CC(=O)N[....
4 6EZY - GSH C10 H17 N3 O6 S C(CC(=O)N[....
5 6F01 - GTS C10 H17 N3 O9 S C(CC(=O)N[....
6 5F05 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
7 4RI6 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
8 1GNW - GTX C16 H30 N3 O6 S CCCCCCSC[C....
9 5A4W Ka = 0.16 M^-1 QCT C21 H20 O11 C[C@H]1[C@....
10 5A4U Ka = 0.09 M^-1 I3A C9 H7 N O c1ccc2c(c1....
11 5A4V - QUE C15 H10 O7 c1cc(c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTS; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 GTS 1 1
2 GSH 0.672727 0.660714
3 GDS 0.627119 0.661017
4 GS8 0.627119 0.785714
5 GSF 0.616667 0.910714
6 GSM 0.616667 0.6
7 AHE 0.606557 0.610169
8 HGD 0.596774 0.661017
9 TGG 0.575758 0.637931
10 GSB 0.541667 0.6
11 HGS 0.516129 0.684211
12 HCG 0.507937 0.649123
13 3GC 0.482143 0.607143
14 GVX 0.46988 0.612903
15 TS5 0.441558 0.606557
16 GCG 0.44 0.622951
17 TS4 0.425 0.645161
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6F05; Ligand: GTS; 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: 6f05.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6F05; Ligand: GTS; 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: 6f05.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6F05; Ligand: GTS; 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: 6f05.bio5) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6F05; Ligand: GTS; 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: 6f05.bio5) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6F05; Ligand: GTS; 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: 6f05.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6F05; Ligand: GTS; 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: 6f05.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 6F05; Ligand: GTS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 6f05.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 6F05; Ligand: GTS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 6f05.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 6F05; Ligand: GTS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 6f05.bio4) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 6F05; Ligand: GTS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 6f05.bio4) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 6F05; Ligand: GTS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 6f05.bio6) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 6F05; Ligand: GTS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 6f05.bio6) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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