Receptor
PDB id Resolution Class Description Source Keywords
5MFI 1.45 Å NON-ENZYME: OTHER DESIGNED ARMADILLO REPEAT PROTEIN YIII(DQ.V2)4CQI IN COMPLEX PEPTIDE (KR)4 SYNTHETIC CONSTRUCT DESIGNED ARMADILLO REPEAT PROTEIN PEPTIDE BINDING DE NOVO DE NOVO PROTEIN
Ref.: CURVATURE OF DESIGNED ARMADILLO REPEAT PROTEINS ALL MODULAR PEPTIDE BINDING. J. STRUCT. BIOL. V. 201 108 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LYS ARG LYS ARG LYS ARG LYS ARG D:1;
C:1;
 Valid;
Valid;
 Atoms found MORE than expected: % Diff = 1.123;
Atoms found MORE than expected: % Diff = 1.235;
 submit data
159.213 n/a O=CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MFI 1.45 Å NON-ENZYME: OTHER DESIGNED ARMADILLO REPEAT PROTEIN YIII(DQ.V2)4CQI IN COMPLEX PEPTIDE (KR)4 SYNTHETIC CONSTRUCT DESIGNED ARMADILLO REPEAT PROTEIN PEPTIDE BINDING DE NOVO DE NOVO PROTEIN
Ref.: CURVATURE OF DESIGNED ARMADILLO REPEAT PROTEINS ALL MODULAR PEPTIDE BINDING. J. STRUCT. BIOL. V. 201 108 2018
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5MFK - LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
2 4D49 - ARG C6 H15 N4 O2 C(C[C@@H](....
3 5MFJ - LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
4 5MFI - LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5MFK - LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
2 4D49 - ARG C6 H15 N4 O2 C(C[C@@H](....
3 5MFJ - LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
4 5MFI - LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
5 5MFE - ARG ARG ARG ARG ARG ARG ARG ARG n/a n/a
6 5MFG - ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG n/a n/a
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5MFK - LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
2 4D49 - ARG C6 H15 N4 O2 C(C[C@@H](....
3 5MFJ - LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
4 5MFI - LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
5 5MFH - ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG n/a n/a
6 5MFF - ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG n/a n/a
7 5AEI Kd = 1.1 nM LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
8 5MFE - ARG ARG ARG ARG ARG ARG ARG ARG n/a n/a
9 5MFG - ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LYS ARG LYS ARG LYS ARG LYS ARG; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS ARG LYS ARG LYS ARG LYS ARG 1 1
2 AAR 0.526316 0.848485
3 DAR 0.5 0.848485
4 ARG 0.5 0.848485
5 ARG ASP 0.433962 0.666667
6 BEZ NLE LYS ARG OAR 0.413793 0.756757
7 ACE THR ARG GLU 0.403509 0.608696
Similar Ligands (3D)
Ligand no: 1; Ligand: LYS ARG LYS ARG LYS ARG LYS ARG; 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 : 5MFI; Ligand: LYS ARG LYS ARG LYS ARG LYS ARG; 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: 5mfi.bio1) has 62 residues
No: Leader PDB Ligand Sequence Similarity
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