Receptor
PDB id Resolution Class Description Source Keywords
4JZ8 2.1 Å EC: 2.7.2.2 CARBAMATE KINASE FROM GIARDIA LAMBLIA BOUND TO CITRIC ACID GIARDIA LAMBLIA MODIFIED ROSSMANN FOLD ATP CARBAMATE PHOSPHOTRANSFERASE ADCARBAMOYL PHOSPHATE TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF CARBAMATE KINASE FROM GIARDIA BOUND WITH CITRIC ACID AND AMP-PNP. PLOS ONE V. 8 64004 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT D:401;
A:401;
C:401;
B:401;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
192.124 C6 H8 O7 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JZ8 2.1 Å EC: 2.7.2.2 CARBAMATE KINASE FROM GIARDIA LAMBLIA BOUND TO CITRIC ACID GIARDIA LAMBLIA MODIFIED ROSSMANN FOLD ATP CARBAMATE PHOSPHOTRANSFERASE ADCARBAMOYL PHOSPHATE TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF CARBAMATE KINASE FROM GIARDIA BOUND WITH CITRIC ACID AND AMP-PNP. PLOS ONE V. 8 64004 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4JZ9 - CIT C6 H8 O7 C(C(=O)O)C....
2 4JZ8 - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4JZ9 - CIT C6 H8 O7 C(C(=O)O)C....
2 4JZ8 - CIT C6 H8 O7 C(C(=O)O)C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4JZ9 - CIT C6 H8 O7 C(C(=O)O)C....
2 4JZ8 - CIT C6 H8 O7 C(C(=O)O)C....
3 1E19 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 2WE5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JZ8; Ligand: CIT; 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: 4jz8.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4JZ8; Ligand: CIT; 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: 4jz8.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4JZ8; Ligand: CIT; 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: 4jz8.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4JZ8; Ligand: CIT; 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: 4jz8.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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