Receptor
PDB id Resolution Class Description Source Keywords
6RK4 1.43 Å EC: 3.4.24.75 LYSOSTAPHIN SH3B P4-G5 COMPLEX, SYNCHROTRON DATASET STAPHYLOCOCCUS SIMULANS PEPTIDOGLYCAN HYDROLASE PEPTIDE BINDING PROTEIN
Ref.: TWO-SITE RECOGNITION OF STAPHYLOCOCCUS AUREUS PEPTI BY LYSOSTAPHIN SH3B. NAT.CHEM.BIOL. V. 16 24 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:502;
A:503;
 Invalid;
Invalid;
 none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
K5T A:501;
 Valid;
 Atoms found LESS than expected: % Diff = 0.102;
 Kd = 890 uM
701.729 C27 H47 N11 O11 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6RK4 1.43 Å EC: 3.4.24.75 LYSOSTAPHIN SH3B P4-G5 COMPLEX, SYNCHROTRON DATASET STAPHYLOCOCCUS SIMULANS PEPTIDOGLYCAN HYDROLASE PEPTIDE BINDING PROTEIN
Ref.: TWO-SITE RECOGNITION OF STAPHYLOCOCCUS AUREUS PEPTI BY LYSOSTAPHIN SH3B. NAT.CHEM.BIOL. V. 16 24 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6RK4 Kd = 890 uM K5T C27 H47 N11 O11 C[C@@H](C(....
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 6RK4 Kd = 890 uM K5T C27 H47 N11 O11 C[C@@H](C(....
50% 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 6RK4 Kd = 890 uM K5T C27 H47 N11 O11 C[C@@H](C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: K5T; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 K5T 1 1
2 J0J 0.494253 0.897436
Similar Ligands (3D)
Ligand no: 1; Ligand: K5T; 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 : 6RK4; Ligand: K5T; 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: 6rk4.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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