Receptor
PDB id Resolution Class Description Source Keywords
3EJ0 1.96 Å EC: 3.6.1.1 CRYSTAL STRUCTURE OF INORGANIC PYROPHOSPHATASE FROM BURKHOLD PSEUDOMALLEI WITH BOUND N-(PYRIDIN-3-YLMETHYL) ANILINE, H32F ORM BURKHOLDERIA PSEUDOMALLEI 1710B STRUCTURAL GENOMICS SSGCID BUPSA.00023.A PYROPHOSPHATASEHYDROLASE SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOU
Ref.: THE ROLE OF MEDICAL STRUCTURAL GENOMICS IN DISCOVER DRUGS FOR INFECTIOUS DISEASES. PLOS COMPUT BIOL V. 5 00530 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
11X A:176;
A:177;
Valid;
Valid;
none;
none;
submit data
184.237 C12 H12 N2 c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EJ0 1.96 Å EC: 3.6.1.1 CRYSTAL STRUCTURE OF INORGANIC PYROPHOSPHATASE FROM BURKHOLD PSEUDOMALLEI WITH BOUND N-(PYRIDIN-3-YLMETHYL) ANILINE, H32F ORM BURKHOLDERIA PSEUDOMALLEI 1710B STRUCTURAL GENOMICS SSGCID BUPSA.00023.A PYROPHOSPHATASEHYDROLASE SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOU
Ref.: THE ROLE OF MEDICAL STRUCTURAL GENOMICS IN DISCOVER DRUGS FOR INFECTIOUS DISEASES. PLOS COMPUT BIOL V. 5 00530 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3EJ0 - 11X C12 H12 N2 c1ccc(cc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3EJ0 - 11X C12 H12 N2 c1ccc(cc1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3EJ0 - 11X C12 H12 N2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 11X; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 11X 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3EJ0; Ligand: 11X; 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: 3ej0.bio2) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3EJ0; Ligand: 11X; 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: 3ej0.bio2) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3EJ0; Ligand: 11X; 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: 3ej0.bio2) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3EJ0; Ligand: 11X; 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: 3ej0.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3ej0.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3ej0.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3ej0.bio3) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3ej0.bio3) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3ej0.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3ej0.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3ej0.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3ej0.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 3ej0.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 3ej0.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 3ej0.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 3ej0.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 3ej0.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 3ej0.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 3ej0.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 3EJ0; Ligand: 11X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 3ej0.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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