Receptor
PDB id Resolution Class Description Source Keywords
2EW6 2.2 Å EC: 3.5.1.88 STRUCTURE OF HELICOBACTER PYLORI PEPTIDE DEFORMYLASE IN COMP INHIBITOR HELICOBACTER PYLORI COBALT HELICOBACTER PYLORI PEPTIDE DEFORMYLASE INHIBITOR H
Ref.: PEPTIDE DEFORMYLASE IS A POTENTIAL TARGET FOR ANTI-HELICOBACTER PYLORI DRUGS: REVERSE DOCKING, EN ASSAY, AND X-RAY CRYSTALLOGRAPHY VALIDATION PROTEIN SCI. V. 15 2071 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO A:300;
Part of Protein;
none;
submit data
58.933 Co [Co+2...
Y13 A:200;
Valid;
none;
ic50 = 10.8 uM
299.321 C17 H17 N O4 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2EW5 2.2 Å EC: 3.5.1.88 STRUCTURE OF HELICOBACTER PYLORI PEPTIDE DEFORMYLASE IN COMP INHIBITOR HELICOBACTER PYLORI COBALT HELICOBACTER PYLORI PEPTIDE DEFORMYLASE INHIBITOR H
Ref.: PEPTIDE DEFORMYLASE IS A POTENTIAL TARGET FOR ANTI-HELICOBACTER PYLORI DRUGS: REVERSE DOCKING, EN ASSAY, AND X-RAY CRYSTALLOGRAPHY VALIDATION PROTEIN SCI. V. 15 2071 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 2EW6 ic50 = 10.8 uM Y13 C17 H17 N O4 c1cc(ccc1C....
2 2EW5 ic50 = 1.25 uM Y12 C21 H21 N O5 CC(=O)Oc1c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2EW6 ic50 = 10.8 uM Y13 C17 H17 N O4 c1cc(ccc1C....
2 2EW5 ic50 = 1.25 uM Y12 C21 H21 N O5 CC(=O)Oc1c....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 1G2A ic50 = 10 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
2 1BS8 - MET ALA SER n/a n/a
3 2AI8 ic50 = 0.16 uM SB7 C10 H15 N O2 c1ccc(cc1)....
4 1G27 ic50 = 7 nM BB1 C16 H31 N3 O4 CCCC[C@H](....
5 1LRU - BB2 C19 H35 N3 O5 CCCCC[C@H]....
6 1BS6 - MET ALA SER n/a n/a
7 2EW6 ic50 = 10.8 uM Y13 C17 H17 N O4 c1cc(ccc1C....
8 2EW5 ic50 = 1.25 uM Y12 C21 H21 N O5 CC(=O)Oc1c....
9 3UWB ic50 = 10 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
10 1RL4 ic50 = 130 nM BL5 C38 H62 N8 O4 CCCC[C@@H]....
11 1S17 ic50 < 5 nM GNR C10 H10 N2 O3 S c1ccc2c(c1....
12 1IX1 - BB2 C19 H35 N3 O5 CCCCC[C@H]....
13 4DR9 ic50 = 10 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
14 3M6Q Kd = 48 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: Y13; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 Y13 1 1
2 Y12 0.417722 0.809524
3 QAP 0.413333 0.634146
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2EW5; Ligand: Y12; 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: 2ew5.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback