Receptor
PDB id Resolution Class Description Source Keywords
2G1A 2 Å EC: 3.1.3.2 CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN APHA CLASS B ACID PHOSPHATASE/PHOSPHOTRANSFERASE ESCHERICHIA COLI HYDROLASE; ACID PHOSPHATASE/PHOSPHOTRANSFERASE; METALLO PHOSHYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN APHA CLASS PHOSPHATASE/PHOSPHOTRANSFERASE TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5HG A:700;
B:701;
Valid;
Valid;
none;
none;
submit data
273.186 C8 H12 N5 O4 P c1nc(...
MG A:400;
B:401;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2B82 1.25 Å EC: 3.1.3.2 CRYSTAL STRUCTURE OF APHA CLASS B ACID PHOSPHATASE/PHOSPHOTR TERNARY COMPLEX WITH ADENOSINE AND PHOSPHATE BOUND TO THE CM ETAL AT 1.2 A RESOLUTION ESCHERICHIA COLI CLASS B ACID PHOSPHATASE; DDDD ACID PHOSPHATASE; METALLO-ENZHYDROLASE
Ref.: A STRUCTURE-BASED PROPOSAL FOR THE CATALYTIC MECHAN THE BACTERIAL ACID PHOSPHATASE APHA BELONGING TO TH SUPERFAMILY OF PHOSPHOHYDROLASES J.MOL.BIOL. V. 355 708 2006
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2G1A - 5HG C8 H12 N5 O4 P c1nc(c2c(n....
2 2B82 - ADN C10 H13 N5 O4 c1nc(c2c(n....
3 1RMT - ADN C10 H13 N5 O4 c1nc(c2c(n....
4 1RMY - DCZ C9 H13 N3 O4 C1[C@@H]([....
5 2B8J - ADN C10 H13 N5 O4 c1nc(c2c(n....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1Z5U - CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 2G1A - 5HG C8 H12 N5 O4 P c1nc(c2c(n....
3 2B82 - ADN C10 H13 N5 O4 c1nc(c2c(n....
4 1RMT - ADN C10 H13 N5 O4 c1nc(c2c(n....
5 1RMY - DCZ C9 H13 N3 O4 C1[C@@H]([....
6 2B8J - ADN C10 H13 N5 O4 c1nc(c2c(n....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1Z5U - CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 2G1A - 5HG C8 H12 N5 O4 P c1nc(c2c(n....
3 2B82 - ADN C10 H13 N5 O4 c1nc(c2c(n....
4 1RMT - ADN C10 H13 N5 O4 c1nc(c2c(n....
5 1RMY - DCZ C9 H13 N3 O4 C1[C@@H]([....
6 2B8J - ADN C10 H13 N5 O4 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5HG; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 5HG 1 1
2 EMA 0.701493 0.954545
3 TNM 0.479452 0.857143
4 APS 0.460317 0.651515
5 ARP 0.460317 0.651515
6 EOI 0.4375 0.821918
7 2AM 0.402597 0.723684
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2B82; 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: 2b82.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2B82; 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: 2b82.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2B82; 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: 3) in the query (biounit: 2b82.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2B82; 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: 4) in the query (biounit: 2b82.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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