Receptor
PDB id Resolution Class Description Source Keywords
2C3Q 1.85 Å EC: 2.5.1.18 HUMAN GLUTATHIONE-S-TRANSFERASE T1-1 W234R MUTANT, COMPLEX WITH S-HEXYLGLUTATHIONE HOMO SAPIENS TRANSFERASE GLUTATHIONE GLUTATHIONE TRANSFERASE T1-1 POLYMORPHISM
Ref.: STRUCTURAL BASIS OF THE SUPPRESSED CATALYTIC ACTIVITY OF WILD-TYPE HUMAN GLUTATHIONE TRANSFERASE T1-1 COMPARED TO ITS W234R MUTANT. J.MOL.BIOL. V. 355 96 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTX A:301;
B:301;
C:301;
D:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
392.491 C16 H30 N3 O6 S CCCCC...
IOD A:401;
A:402;
A:403;
A:405;
A:406;
A:407;
A:408;
B:401;
B:402;
B:403;
B:404;
B:405;
B:406;
B:407;
B:408;
B:409;
C:401;
C:402;
C:403;
C:404;
C:405;
C:406;
C:407;
C:408;
D:401;
D:402;
D:403;
D:404;
D:405;
D:406;
D:407;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
126.904 I [I-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2C3Q 1.85 Å EC: 2.5.1.18 HUMAN GLUTATHIONE-S-TRANSFERASE T1-1 W234R MUTANT, COMPLEX WITH S-HEXYLGLUTATHIONE HOMO SAPIENS TRANSFERASE GLUTATHIONE GLUTATHIONE TRANSFERASE T1-1 POLYMORPHISM
Ref.: STRUCTURAL BASIS OF THE SUPPRESSED CATALYTIC ACTIVITY OF WILD-TYPE HUMAN GLUTATHIONE TRANSFERASE T1-1 COMPARED TO ITS W234R MUTANT. J.MOL.BIOL. V. 355 96 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 58 families.
1 2C3Q - GTX C16 H30 N3 O6 S CCCCCCSC[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 39 families.
1 2C3Q - GTX C16 H30 N3 O6 S CCCCCCSC[C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 2C3Q - GTX C16 H30 N3 O6 S CCCCCCSC[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTX; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 GTX 1 1
2 0HH 0.732394 0.978261
3 0HG 0.56962 0.703704
4 CNZ 0.54023 0.716981
5 GSM 0.493151 0.829787
6 AHE 0.486486 0.770833
7 GS8 0.459459 0.666667
8 GDS 0.459459 0.76
9 HGD 0.441558 0.72549
10 BOB 0.43956 0.897959
11 TGG 0.432099 0.770833
12 GSB 0.430233 0.755102
13 ABY 0.425287 0.709091
14 GSO 0.425287 0.74
15 GGL CYW GLY 0.402439 0.795918
16 48T 0.4 0.698113
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2C3Q; Ligand: GTX; 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: 2c3q.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2C3Q; Ligand: GTX; 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: 2c3q.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2C3Q; Ligand: GTX; 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: 2c3q.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2C3Q; Ligand: GTX; 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: 2c3q.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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