Receptor
PDB id Resolution Class Description Source Keywords
4UBP 1.55 Å EC: 3.5.1.5 STRUCTURE OF BACILLUS PASTEURII UREASE INHIBITED WITH ACETOH ACID AT 1.55 A RESOLUTION SPOROSARCINA PASTEURII UREASE BACILLUS PASTEURII NICKEL ACETOHYDROXAMIC ACID METALLOENZYME HYDROLASE
Ref.: THE COMPLEX OF BACILLUS PASTEURII UREASE WITH ACETOHYDROXAMATE ANION FROM X-RAY DATA AT 1.55 A RE J.BIOL.INORG.CHEM. V. 5 110 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HAE C:800;
Valid;
none;
Ki = 2.6 uM
75.067 C2 H5 N O2 CC(=O...
NI C:798;
C:799;
Part of Protein;
Part of Protein;
none;
none;
submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UBP 1.55 Å EC: 3.5.1.5 STRUCTURE OF BACILLUS PASTEURII UREASE INHIBITED WITH ACETOH ACID AT 1.55 A RESOLUTION SPOROSARCINA PASTEURII UREASE BACILLUS PASTEURII NICKEL ACETOHYDROXAMIC ACID METALLOENZYME HYDROLASE
Ref.: THE COMPLEX OF BACILLUS PASTEURII UREASE WITH ACETOHYDROXAMATE ANION FROM X-RAY DATA AT 1.55 A RE J.BIOL.INORG.CHEM. V. 5 110 2000
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5OL4 - 9XN H4 N O2 P S NP(=S)(O)O
2 4UBP Ki = 2.6 uM HAE C2 H5 N O2 CC(=O)NO
3 4AC7 - FLC C6 H5 O7 C(C(=O)[O-....
4 4CEX - F F [F-]
5 3UBP - 2PA H5 N2 O2 P NP(=O)(N)O
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5OL4 - 9XN H4 N O2 P S NP(=S)(O)O
2 4UBP Ki = 2.6 uM HAE C2 H5 N O2 CC(=O)NO
3 4AC7 - FLC C6 H5 O7 C(C(=O)[O-....
4 4CEX - F F [F-]
5 3UBP - 2PA H5 N2 O2 P NP(=O)(N)O
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1FWE - HAE C2 H5 N O2 CC(=O)NO
2 5OL4 - 9XN H4 N O2 P S NP(=S)(O)O
3 4UBP Ki = 2.6 uM HAE C2 H5 N O2 CC(=O)NO
4 4AC7 - FLC C6 H5 O7 C(C(=O)[O-....
5 4CEX - F F [F-]
6 3UBP - 2PA H5 N2 O2 P NP(=O)(N)O
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HAE; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 HAE 1 1
2 NHY 0.466667 0.633333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UBP; Ligand: HAE; 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: 4ubp.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4UBP; Ligand: HAE; 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: 4ubp.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4UBP; Ligand: HAE; 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: 4ubp.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4UBP; Ligand: HAE; 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: 4ubp.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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