Receptor
PDB id Resolution Class Description Source Keywords
2YCD 1.4 Å EC: 2.-.-.- STRUCTURE OF A NOVEL GLUTATHIONE TRANSFERASE FROM AGROBACTER TUMEFACIENS. AGROBACTERIUM TUMEFACIENS TRANSFERASE SOIL BACTERIA HERBICIDE DETOXIFICATION
Ref.: A GLUTATHIONE TRANSFERASE FROM AGROBACTERIUM TUMEFA REVEALS A NOVEL CLASS OF BACTERIAL GST SUPERFAMILY. PLOS ONE V. 7 34263 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTB A:501;
 Valid;
 none;
 submit data
442.444 C17 H22 N4 O8 S c1cc(...
PO4 A:601;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YCD 1.4 Å EC: 2.-.-.- STRUCTURE OF A NOVEL GLUTATHIONE TRANSFERASE FROM AGROBACTER TUMEFACIENS. AGROBACTERIUM TUMEFACIENS TRANSFERASE SOIL BACTERIA HERBICIDE DETOXIFICATION
Ref.: A GLUTATHIONE TRANSFERASE FROM AGROBACTERIUM TUMEFA REVEALS A NOVEL CLASS OF BACTERIAL GST SUPERFAMILY. PLOS ONE V. 7 34263 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 2YCD - GTB C17 H22 N4 O8 S c1cc(ccc1C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 2YCD - GTB C17 H22 N4 O8 S c1cc(ccc1C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 2YCD - GTB C17 H22 N4 O8 S c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GTB; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 GTB 1 1
2 GSB 0.746667 0.714286
3 1R4 0.695122 0.982456
4 GNB 0.655172 0.916667
5 GBI 0.650602 0.683333
6 AHE 0.616438 0.637931
7 GDN 0.616279 0.887097
8 0HG 0.571429 0.7
9 GTD 0.568182 0.825397
10 GDS 0.567568 0.633333
11 GS8 0.567568 0.612903
12 GSM 0.56 0.627119
13 GSO 0.552941 0.701754
14 HGD 0.545455 0.633333
15 ABY 0.517241 0.650794
16 TGG 0.512195 0.637931
17 GVX 0.510638 0.639344
18 VWW 0.505618 0.655172
19 P9H 0.505495 0.672414
20 48T 0.5 0.666667
21 GIP 0.494624 0.742424
22 GSH 0.493333 0.631579
23 GBP 0.489362 0.742424
24 LZ6 0.475248 0.725806
25 GPR 0.473684 0.615385
26 GPS 0.473684 0.615385
27 BYG 0.439655 0.692308
28 HCG 0.402439 0.62069
Similar Ligands (3D)
Ligand no: 1; Ligand: GTB; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GTX 0.9218
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YCD; Ligand: GTB; 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: 2ycd.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2YCD; Ligand: GTB; 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: 2ycd.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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