Receptor
PDB id Resolution Class Description Source Keywords
5O22 2.1 Å EC: 1.5.1.5 E. COLI FOLD IN COMPLEX WITH CAROLACTON ESCHERICHIA COLI (STRAIN K12) CAROLACTON FOLD NATURAL PRODUCT INHIBITOR OXIDOREDUCTASE
Ref.: THE NATURAL PRODUCT CAROLACTON INHIBITS FOLATE-DEPE METABOLISM BY TARGETING FOLD/MTHFD. NAT COMMUN V. 8 1529 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
C3R A:301;
B:301;
D:301;
C:301;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 10 nM
468.58 C25 H40 O8 C[C@@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5O22 2.1 Å EC: 1.5.1.5 E. COLI FOLD IN COMPLEX WITH CAROLACTON ESCHERICHIA COLI (STRAIN K12) CAROLACTON FOLD NATURAL PRODUCT INHIBITOR OXIDOREDUCTASE
Ref.: THE NATURAL PRODUCT CAROLACTON INHIBITS FOLATE-DEPE METABOLISM BY TARGETING FOLD/MTHFD. NAT COMMUN V. 8 1529 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5O22 Kd = 10 nM C3R C25 H40 O8 C[C@@H]1CC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5O22 Kd = 10 nM C3R C25 H40 O8 C[C@@H]1CC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5O22 Kd = 10 nM C3R C25 H40 O8 C[C@@H]1CC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: C3R; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 C3R 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: C3R; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5O22; Ligand: C3R; 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: 5o22.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5O22; Ligand: C3R; 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: 5o22.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5O22; Ligand: C3R; 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: 5o22.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5O22; Ligand: C3R; 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: 5o22.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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