Receptor
PDB id Resolution Class Description Source Keywords
3A2Y 1.95 Å EC: 6.3.1.8 E. COLI GSP AMIDASE C59A COMPLEXED WITH GSP ESCHERICHIA COLI GSP AMIDASE ATP-BINDING HYDROLASE LIGASE MULTIFUNCTIONALNUCLEOTIDE-BINDING
Ref.: STRUCTURE AND MECHANISM OF ESCHERICHIA COLI GLUTATHIONYLSPERMIDINE AMIDASE BELONGING TO THE FAM CYSTEINE; HISTIDINE-DEPENDENT AMIDOHYDROLASES/PEPTI PROTEIN SCI. V. 20 557 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TS5 A:198;
 Valid;
 none;
 submit data
434.554 C17 H34 N6 O5 S C(CCN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3A2Y 1.95 Å EC: 6.3.1.8 E. COLI GSP AMIDASE C59A COMPLEXED WITH GSP ESCHERICHIA COLI GSP AMIDASE ATP-BINDING HYDROLASE LIGASE MULTIFUNCTIONALNUCLEOTIDE-BINDING
Ref.: STRUCTURE AND MECHANISM OF ESCHERICHIA COLI GLUTATHIONYLSPERMIDINE AMIDASE BELONGING TO THE FAM CYSTEINE; HISTIDINE-DEPENDENT AMIDOHYDROLASES/PEPTI PROTEIN SCI. V. 20 557 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3A2Y - TS5 C17 H34 N6 O5 S C(CCNCCCNC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3A2Y - TS5 C17 H34 N6 O5 S C(CCNCCCNC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3A2Y - TS5 C17 H34 N6 O5 S C(CCNCCCNC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TS5; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 TS5 1 1
2 GCG 0.863636 0.976744
3 TS4 0.767123 0.913043
4 GSH 0.573529 0.880952
5 HGS 0.535211 0.863636
6 HCG 0.486486 0.904762
7 3GC 0.462687 0.809524
8 GSM 0.454545 0.822222
9 GTS 0.441558 0.606557
10 GS8 0.423077 0.755102
11 GDS 0.423077 0.826087
12 AHE 0.4125 0.840909
13 VB1 0.410256 0.840909
14 HGD 0.407407 0.787234
15 GSF 0.4 0.660714
Similar Ligands (3D)
Ligand no: 1; Ligand: TS5; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3A2Y; Ligand: TS5; 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: 3a2y.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3A2Y; Ligand: TS5; 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: 3a2y.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3A2Y; Ligand: TS5; 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: 3a2y.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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