Receptor
PDB id Resolution Class Description Source Keywords
4H1Y 1.58 Å EC: 3.1.3.5 HUMAN ECTO-5'-NUCLEOTIDASE (CD73): CRYSTAL FORM II (OPEN) IN WITH PSB11552 HOMO SAPIENS DIMERIC NUCLEOTIDASE HYDROLASE AMP BINDING ZINC BINDINGEXTRACELLULAR
Ref.: CRYSTAL STRUCTURE OF THE HUMAN ECTO-5'-NUCLEOTIDASE INSIGHTS INTO THE REGULATION OF PURINERGIC SIGNALIN STRUCTURE V. 20 2161 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0YQ P:603;
Valid;
none;
submit data
473.391 C17 H23 N5 O11 C1=CN...
CA P:606;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
CL P:605;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GOL P:604;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ZN P:601;
P:602;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4H2F 1.85 Å EC: 3.1.3.5 HUMAN ECTO-5'-NUCLEOTIDASE (CD73): CRYSTAL FORM I (OPEN) IN WITH ADENOSINE HOMO SAPIENS DIMER HYDROLASE PHOSPHATASE EXTRACELLULAR
Ref.: CRYSTAL STRUCTURE OF THE HUMAN ECTO-5'-NUCLEOTIDASE INSIGHTS INTO THE REGULATION OF PURINERGIC SIGNALIN STRUCTURE V. 20 2161 2012
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4H2F - ADN C10 H13 N5 O4 c1nc(c2c(n....
2 4H2G - ADN C10 H13 N5 O4 c1nc(c2c(n....
3 4H2B - 0XE C21 H18 O11 c1ccc(cc1)....
4 4H1Y - 0YQ C17 H23 N5 O11 C1=CN(C(=O....
5 4H2I - A12 C11 H17 N5 O9 P2 c1nc(c2c(n....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4H2F - ADN C10 H13 N5 O4 c1nc(c2c(n....
2 4H2G - ADN C10 H13 N5 O4 c1nc(c2c(n....
3 4H2B - 0XE C21 H18 O11 c1ccc(cc1)....
4 4H1Y - 0YQ C17 H23 N5 O11 C1=CN(C(=O....
5 4H2I - A12 C11 H17 N5 O9 P2 c1nc(c2c(n....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4H2F - ADN C10 H13 N5 O4 c1nc(c2c(n....
2 4H2G - ADN C10 H13 N5 O4 c1nc(c2c(n....
3 4H2B - 0XE C21 H18 O11 c1ccc(cc1)....
4 4H1Y - 0YQ C17 H23 N5 O11 C1=CN(C(=O....
5 4H2I - A12 C11 H17 N5 O9 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0YQ; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 0YQ 1 1
2 UUA 0.547945 0.8
3 URI 0.435897 0.835821
4 CJB 0.419753 0.794118
5 N3E 0.402174 0.884058
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4H2F; Ligand: ADN; 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: 4h2f.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4H2F; Ligand: ADN; 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: 4h2f.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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