Receptor
PDB id Resolution Class Description Source Keywords
5U83 1.61 Å EC: 4.99.1.2 CRYSTAL STRUCTURE OF A MERB-TRIMETHYTIN COMPLEX. ESCHERICHIA COLI BACTERIAL PROTEINS CYSTEINE ESCHERICHIA COLI LYASES MERCTRIMETHYLTIN LYASE METAL BINDING PROTEIN
Ref.: STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF ORGA ORGANOLEAD COMPOUNDS BINDING TO THE ORGANOMERCURIAL MERB PROVIDE NEW INSIGHTS INTO ITS MECHANISM OF CAR BOND CLEAVAGE. J. AM. CHEM. SOC. V. 139 910 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BR B:301;
 Invalid;
 none;
 submit data
79.904 Br [Br-]
ZN8 A:301;
B:302;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.2;
Atoms found LESS than expected: % Diff = 0.2;
 submit data
199.267 C3 H9 Cl Sn C[Sn]...
ACT B:303;
A:302;
 Invalid;
Invalid;
 none;
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
5U83 1.61 Å EC: 4.99.1.2 CRYSTAL STRUCTURE OF A MERB-TRIMETHYTIN COMPLEX. ESCHERICHIA COLI BACTERIAL PROTEINS CYSTEINE ESCHERICHIA COLI LYASES MERCTRIMETHYLTIN LYASE METAL BINDING PROTEIN
Ref.: STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF ORGA ORGANOLEAD COMPOUNDS BINDING TO THE ORGANOMERCURIAL MERB PROVIDE NEW INSIGHTS INTO ITS MECHANISM OF CAR BOND CLEAVAGE. J. AM. CHEM. SOC. V. 139 910 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5U88 - ZN9 C3 H9 Br Pb C[Pb](C)(C....
2 5U83 - ZN8 C3 H9 Cl Sn C[Sn](C)(C....
3 5U82 - ZN0 C6 H15 Cl Sn CC[Sn](CC)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5U88 - ZN9 C3 H9 Br Pb C[Pb](C)(C....
2 5U83 - ZN8 C3 H9 Cl Sn C[Sn](C)(C....
3 5U82 - ZN0 C6 H15 Cl Sn CC[Sn](CC)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5U88 - ZN9 C3 H9 Br Pb C[Pb](C)(C....
2 5U83 - ZN8 C3 H9 Cl Sn C[Sn](C)(C....
3 5U82 - ZN0 C6 H15 Cl Sn CC[Sn](CC)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ZN8; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ZN8 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: ZN8; 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 : 5U83; Ligand: ZN8; 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: 5u83.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5U83; Ligand: ZN8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5u83.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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