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 199 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 166 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 141 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: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 SPD 1 1
2 37Z 0.85 0.913043
3 SPM 0.809524 1
4 NSD 0.75 0.913043
5 SS9 0.607143 0.958333
6 Q9C 0.545455 0.71875
7 SP5 0.514286 0.71875
8 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: 9
This union binding pocket(no: 1) in the query (biounit: 1pot.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1RX0 FAD 0.0392 0.40915 4.61538
2 4GJY OGA 0.006709 0.40809 5.53191
3 5JNN 6LM 0.03107 0.40435 10.5263
4 2XUM OGA 0.00521 0.41501 13.2308
5 1H2K OGA 0.00331 0.42573 13.5385
6 1H2M OGA 0.005053 0.41598 13.5385
7 3P3N AKG 0.005534 0.41391 13.5385
8 2Y0I AKG 0.009469 0.40427 13.5385
9 4B7E OGA 0.01033 0.40253 13.5385
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