Receptor
PDB id Resolution Class Description Source Keywords
5A61 1.5 Å EC: 3.6.1.25 CRYSTAL STRUCTURE OF FULL-LENGTH E. COLI YGIF IN COMPLEX WITH TRIPOLYPHOSPHATE AND TWO MANGANESE IONS. ESCHERICHIA COLI K-12 HYDROLASE TRIPOLYPHOSPHATE TRIPHOSPHATE TUNNEL METALLOENZY
Ref.: STRUCTURAL DETERMINANTS FOR SUBSTRATE BINDING AND C IN TRIPHOSPHATE TUNNEL METALLOENZYMES. J.BIOL.CHEM. V. 290 23348 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3PO A:500;
Valid;
none;
submit data
257.955 H5 O10 P3 OP(=O...
EDO A:1000;
A:1001;
A:1002;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
MN A:502;
A:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5A61 1.5 Å EC: 3.6.1.25 CRYSTAL STRUCTURE OF FULL-LENGTH E. COLI YGIF IN COMPLEX WITH TRIPOLYPHOSPHATE AND TWO MANGANESE IONS. ESCHERICHIA COLI K-12 HYDROLASE TRIPOLYPHOSPHATE TRIPHOSPHATE TUNNEL METALLOENZY
Ref.: STRUCTURAL DETERMINANTS FOR SUBSTRATE BINDING AND C IN TRIPHOSPHATE TUNNEL METALLOENZYMES. J.BIOL.CHEM. V. 290 23348 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5A61 - 3PO H5 O10 P3 OP(=O)(O)O....
2 5A60 - 3PO H5 O10 P3 OP(=O)(O)O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5A61 - 3PO H5 O10 P3 OP(=O)(O)O....
2 5A60 - 3PO H5 O10 P3 OP(=O)(O)O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5A61 - 3PO H5 O10 P3 OP(=O)(O)O....
2 5A60 - 3PO H5 O10 P3 OP(=O)(O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3PO; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 3PO 1 1
2 6YW 0.764706 1
3 PPV 0.6 1
4 PIS 0.5 0.84
5 P22 0.44 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5A61; Ligand: 3PO; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5a61.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5A67 3PO 14.6226
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