Receptor
PDB id Resolution Class Description Source Keywords
1WS1 2 Å EC: 3.5.1.88 STRUCTURE ANALYSIS OF PEPTIDE DEFORMYLASE FROM BACILLUS CEREUS BACILLUS CEREUS ALPHA+BETA TOPOLOGY ACTINONIN COMPLEX HYDROLASE
Ref.: STRUCTURE ANALYSIS OF PEPTIDE DEFORMYLASE FROM BACILLUS CEREUS PROTEINS V. 61 217 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BB2 A:400;
 Valid;
 none;
 Ki = 0.28 nM
385.498 C19 H35 N3 O5 CCCCC...
NI A:200;
 Part of Protein;
 none;
 submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WS1 2 Å EC: 3.5.1.88 STRUCTURE ANALYSIS OF PEPTIDE DEFORMYLASE FROM BACILLUS CEREUS BACILLUS CEREUS ALPHA+BETA TOPOLOGY ACTINONIN COMPLEX HYDROLASE
Ref.: STRUCTURE ANALYSIS OF PEPTIDE DEFORMYLASE FROM BACILLUS CEREUS PROTEINS V. 61 217 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 1WS1 Ki = 0.28 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1WS1 Ki = 0.28 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1WS1 Ki = 0.28 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BB2; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BB2 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: BB2; Similar ligands found: 1
No: Ligand Similarity coefficient
1 BB1 0.8743
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WS1; Ligand: BB2; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1ws1.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5MTE BB2 42.3358
2 5MTE BB2 42.3358
3 3UWB BB2 50
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