Receptor
PDB id Resolution Class Description Source Keywords
4LWM 1.8 Å EC: 1.8.4.11 CRYSTAL STRUCTURE OF METHIONINE SULFOXIDE REDUCTASE U16C/E55 CLOSTRIDIUM OREMLANDII WITH METHIONIE SULFOXIDE ALKALIPHILUS OREMLANDII ALPHA/BETA FOLD PEPTIDE-METHIONINE (S)-S-OXIDE REDUCTASE OXIDOREDUCTASE
Ref.: STRUCTURAL ANALYSIS OF 1-CYS TYPE SELENOPROTEIN MET SULFOXIDE REDUCTASE A ARCH.BIOCHEM.BIOPHYS. V. 545 1 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MHO A:300;
Valid;
none;
submit data
165.211 C5 H11 N O3 S C[S@]...
ACT A:301;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LWM 1.8 Å EC: 1.8.4.11 CRYSTAL STRUCTURE OF METHIONINE SULFOXIDE REDUCTASE U16C/E55 CLOSTRIDIUM OREMLANDII WITH METHIONIE SULFOXIDE ALKALIPHILUS OREMLANDII ALPHA/BETA FOLD PEPTIDE-METHIONINE (S)-S-OXIDE REDUCTASE OXIDOREDUCTASE
Ref.: STRUCTURAL ANALYSIS OF 1-CYS TYPE SELENOPROTEIN MET SULFOXIDE REDUCTASE A ARCH.BIOCHEM.BIOPHYS. V. 545 1 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4LWM - MHO C5 H11 N O3 S C[S@](=O)C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4LWM - MHO C5 H11 N O3 S C[S@](=O)C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4LWM - MHO C5 H11 N O3 S C[S@](=O)C....
2 4W8C - GLY C2 H5 N O2 C(C(=O)O)N
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MHO; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 SME 1 1
2 MHO 1 1
3 MED 0.457143 0.717949
4 MET 0.457143 0.717949
5 ONL 0.428571 0.65
6 CSD 0.424242 0.659574
7 MSE 0.416667 0.658537
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4LWM; Ligand: MHO; 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: 4lwm.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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