Receptor
PDB id Resolution Class Description Source Keywords
1POT 1.8 Å NON-ENZYME: TRANSPORT SPERMIDINE/PUTRESCINE-BINDING PROTEIN COMPLEXED WITH SPERMIDINE (MONOMER FORM) ESCHERICHIA COLI POLYAMINE TRANSPORT PROTEIN BINDING PROTEIN
Ref.: THE 1.8-A X-RAY STRUCTURE OF THE ESCHERICHIA COLI POTD PROTEIN COMPLEXED WITH SPERMIDINE AND THE MECHANISM OF POLYAMINE BINDING. PROTEIN SCI. V. 5 1984 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SPD A:350;
Valid;
none;
Kd = 3.2 uM
145.246 C7 H19 N3 C(CCN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1POT 1.8 Å NON-ENZYME: TRANSPORT SPERMIDINE/PUTRESCINE-BINDING PROTEIN COMPLEXED WITH SPERMIDINE (MONOMER FORM) ESCHERICHIA COLI POLYAMINE TRANSPORT PROTEIN BINDING PROTEIN
Ref.: THE 1.8-A X-RAY STRUCTURE OF THE ESCHERICHIA COLI POTD PROTEIN COMPLEXED WITH SPERMIDINE AND THE MECHANISM OF POLYAMINE BINDING. PROTEIN SCI. V. 5 1984 1996
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1POT Kd = 3.2 uM SPD C7 H19 N3 C(CCNCCCN)....
2 1POY Kd = 3.2 uM SPD C7 H19 N3 C(CCNCCCN)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 1POT Kd = 3.2 uM SPD C7 H19 N3 C(CCNCCCN)....
2 1POY Kd = 3.2 uM SPD C7 H19 N3 C(CCNCCCN)....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 1A99 Kd = 2 uM PUT C4 H12 N2 C(CCN)CN
2 4JDF Kd = 6.4 mM SPD C7 H19 N3 C(CCNCCCN)....
3 3TTN Kd = 14.3 nM SPD C7 H19 N3 C(CCNCCCN)....
4 3TTM Kd = 3 nM PUT C4 H12 N2 C(CCN)CN
5 1POT Kd = 3.2 uM SPD C7 H19 N3 C(CCNCCCN)....
6 1POY Kd = 3.2 uM SPD C7 H19 N3 C(CCNCCCN)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SPD; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 SPD 1 1
2 TER 0.869565 1
3 37Z 0.85 0.913043
4 SPM 0.809524 1
5 NSD 0.75 0.913043
6 SS9 0.607143 0.958333
7 Q9C 0.545455 0.71875
8 SP5 0.514286 0.71875
9 FKS 0.5 0.638889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1POT; Ligand: SPD; 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: 1pot.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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