Receptor
PDB id Resolution Class Description Source Keywords
1esz 2 Å NON-ENZYME: TRANSPORT STRUCTURE OF THE PERIPLASMIC FERRIC SIDEROPHORE BINDING PROTEIN FHUD COMPLEXED WITH COPROGEN ESCHERICHIA COLI FHUD IRON TRANSPORT SIDEROPHORE BINDING PROTEIN PERIPLASMIC LIGAND BINDING PROTEIN ABC TRANSPORT PROTEIN METAL TRANSPORT
Ref.: X-RAY CRYSTALLOGRAPHIC STRUCTURES OF THE ESCHERICHIA COLI PERIPLASMIC PROTEIN FHUD BOUND TO HYDROXAMATE-TYPE SIDEROPHORES AND THE ANTIBIOTIC ALBOMYCIN. J.BIOL.CHEM. V. 277 13966 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CPO A:500;
 Valid;
 none;
 Kd = 0.3 uM
821.673 C35 H53 Fe N6 O13 C/C/1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1K2V 1.97 Å NON-ENZYME: TRANSPORT E. COLI PERIPLASMIC PROTEIN FHUD COMPLEXED WITH DESFERAL ESCHERICHIA COLI TWO DOMAINS ALPHA HELIX LINKER METAL TRANSPORT
Ref.: X-RAY CRYSTALLOGRAPHIC STRUCTURES OF THE ESCHERICHIA COLI PERIPLASMIC PROTEIN FHUD BOUND TO HYDROXAMATE-TYPE SIDEROPHORES AND THE ANTIBIOTIC ALBOMYCIN. J.BIOL.CHEM. V. 277 13966 2002
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 1K2V Kd = 36 uM DEF C27 H49 Fe N6 O11 S CCC1=O[Fe]....
2 1ESZ Kd = 0.3 uM CPO C35 H53 Fe N6 O13 C/C/1=CC2=....
3 1EFD - GCR C28 H44 Ga N9 O13 CC1=O[Ga]2....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 1K2V Kd = 36 uM DEF C27 H49 Fe N6 O11 S CCC1=O[Fe]....
2 1ESZ Kd = 0.3 uM CPO C35 H53 Fe N6 O13 C/C/1=CC2=....
3 1EFD - GCR C28 H44 Ga N9 O13 CC1=O[Ga]2....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 1K2V Kd = 36 uM DEF C27 H49 Fe N6 O11 S CCC1=O[Fe]....
2 1ESZ Kd = 0.3 uM CPO C35 H53 Fe N6 O13 C/C/1=CC2=....
3 1EFD - GCR C28 H44 Ga N9 O13 CC1=O[Ga]2....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CPO; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 HWS 1 1
2 CPO 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: CPO; 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 : 1K2V; Ligand: DEF; 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: 1k2v.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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