Receptor
PDB id Resolution Class Description Source Keywords
2QMC 1.55 Å EC: 2.3.2.2 CRYSTAL STRUCTURE OF HELICOBACTER PYLORI GAMMA-GLUTAMYLTRANS T380A MUTANT HELICOBACTER PYLORI NTN-HYDROLASE GLUTAMYLTRANSPEPTIDASE TRANSFERASE
Ref.: CHARACTERIZATION OF HELICOBACTER PYLORI GAMMA-GLUTAMYLTRANSPEPTIDASE REVEALS THE MOLECULAR SUBSTRATE SPECIFICITY AND A CRITICAL ROLE FOR THE T 433-CONTAINING LOOP IN CATALYSIS. BIOCHEMISTRY V. 46 13407 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTB B:1;
D:1;
 Valid;
Valid;
 none;
none;
 submit data
442.444 C17 H22 N4 O8 S c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QMC 1.55 Å EC: 2.3.2.2 CRYSTAL STRUCTURE OF HELICOBACTER PYLORI GAMMA-GLUTAMYLTRANS T380A MUTANT HELICOBACTER PYLORI NTN-HYDROLASE GLUTAMYLTRANSPEPTIDASE TRANSFERASE
Ref.: CHARACTERIZATION OF HELICOBACTER PYLORI GAMMA-GLUTAMYLTRANSPEPTIDASE REVEALS THE MOLECULAR SUBSTRATE SPECIFICITY AND A CRITICAL ROLE FOR THE T 433-CONTAINING LOOP IN CATALYSIS. BIOCHEMISTRY V. 46 13407 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2QMC - 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 3 families.
1 2QMC - GTB C17 H22 N4 O8 S c1cc(ccc1C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5ZJG - GLY GLY n/a n/a
2 2DBX - GLU C5 H9 N O4 C(CC(=O)O)....
3 2QMC - GTB C17 H22 N4 O8 S c1cc(ccc1C....
4 3A75 - GLU C5 H9 N O4 C(CC(=O)O)....
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 : 2QMC; Ligand: GTB; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2qmc.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4GDX GLU 44.1489
Pocket No.: 2; Query (leader) PDB : 2QMC; 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: 2qmc.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2QMC; 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: 3) in the query (biounit: 2qmc.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2QMC; 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: 4) in the query (biounit: 2qmc.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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