Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DEF N:1;
 Valid;
 none;
 Kd = 36 uM
721.622 C27 H49 Fe N6 O11 S CCC1=...
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: DEF; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 DEF 1 1
2 0UE 0.576577 0.775
Similar Ligands (3D)
Ligand no: 1; Ligand: DEF; 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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