Receptor
PDB id Resolution Class Description Source Keywords
6a71 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN ATP7B AND TM COMPLEX HOMO SAPIENS COPPER TRANSPORTER PROTEIN METAL TRANSPORT
Ref.: TETRATHIOMOLYBDATE INDUCES DIMERIZATION OF THE META DOMAIN OF ATPASE AND INHIBITS PLATINATION OF THE PR NAT COMMUN V. 10 186 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
9UX B:101;
 Valid;
 none;
 submit data
292.041 H4 Mo2 O2 S2 O=[Mo...
PEG A:101;
 Invalid;
 none;
 submit data
106.12 C4 H10 O3 C(COC...
GOL A:102;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
CA A:103;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6A71 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN ATP7B AND TM COMPLEX HOMO SAPIENS COPPER TRANSPORTER PROTEIN METAL TRANSPORT
Ref.: TETRATHIOMOLYBDATE INDUCES DIMERIZATION OF THE META DOMAIN OF ATPASE AND INHIBITS PLATINATION OF THE PR NAT COMMUN V. 10 186 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6A71 - 9UX H4 Mo2 O2 S2 O=[MoH2]1S....
2 6A72 - 9UX H4 Mo2 O2 S2 O=[MoH2]1S....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6A71 - 9UX H4 Mo2 O2 S2 O=[MoH2]1S....
2 6A72 - 9UX H4 Mo2 O2 S2 O=[MoH2]1S....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6A71 - 9UX H4 Mo2 O2 S2 O=[MoH2]1S....
2 6A72 - 9UX H4 Mo2 O2 S2 O=[MoH2]1S....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 9UX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 9UX 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 9UX; Similar ligands found: 2
No: Ligand Similarity coefficient
1 ALF 0.9260
2 73M 0.9148
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6A71; Ligand: 9UX; 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: 6a71.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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