Receptor
PDB id Resolution Class Description Source Keywords
3QVL 1.82 Å EC: 7.-.-.- ALLANTOIN RACEMASE FROM KLEBSIELLA PNEUMONIAE KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIAORGANISM_TAXID: 272620 ISOMERASE
Ref.: CHARACTERIZATION OF THE STRUCTURE AND FUNCTION OF K PNEUMONIAE ALLANTOIN RACEMASE. J.MOL.BIOL. V. 410 447 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5HY A:1;
B:1;
Valid;
Valid;
none;
none;
submit data
158.112 C5 H6 N2 O4 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3QVL 1.82 Å EC: 7.-.-.- ALLANTOIN RACEMASE FROM KLEBSIELLA PNEUMONIAE KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIAORGANISM_TAXID: 272620 ISOMERASE
Ref.: CHARACTERIZATION OF THE STRUCTURE AND FUNCTION OF K PNEUMONIAE ALLANTOIN RACEMASE. J.MOL.BIOL. V. 410 447 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 311 families.
1 3QVL - 5HY C5 H6 N2 O4 C([C@@H]1C....
2 3QVK - 2AL C4 H4 N4 O3 C1(=O)C(=N....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 3QVL - 5HY C5 H6 N2 O4 C([C@@H]1C....
2 3QVK - 2AL C4 H4 N4 O3 C1(=O)C(=N....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 3QVL - 5HY C5 H6 N2 O4 C([C@@H]1C....
2 3QVK - 2AL C4 H4 N4 O3 C1(=O)C(=N....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5HY; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 5HY 1 1
2 DI6 0.540541 0.93617
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3QVL; Ligand: 5HY; 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: 3qvl.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3QVL; Ligand: 5HY; 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: 3qvl.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3QVL; Ligand: 5HY; 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: 3qvl.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3QVL; Ligand: 5HY; 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: 3qvl.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3QVL; Ligand: 5HY; 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: 3qvl.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3QVL; Ligand: 5HY; 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: 3qvl.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3QVL; Ligand: 5HY; 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: 3qvl.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3QVL; Ligand: 5HY; 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: 3qvl.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3QVL; Ligand: 5HY; 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: 3qvl.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3QVL; Ligand: 5HY; 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: 3qvl.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3QVL; Ligand: 5HY; 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: 3qvl.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3QVL; Ligand: 5HY; 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: 3qvl.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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