Receptor
PDB id Resolution Class Description Source Keywords
3TTM 2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF SPUD IN COMPLEX WITH PUTRESCINE PSEUDOMONAS AERUGINOSA POLYAMINE BINDING PUTRESCINE TRANSPORT PROTEIN
Ref.: STRUCTURAL BASIS OF SUBSTRATE BINDING SPECIFICITY R BY THE CRYSTAL STRUCTURES OF POLYAMINE RECEPTORS SP SPUE FROM PSEUDOMONAS AERUGINOSA J.MOL.BIOL. V. 416 697 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PUT A:367;
B:367;
Valid;
Valid;
none;
none;
Kd = 3 nM
88.151 C4 H12 N2 C(CCN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TTM 2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF SPUD IN COMPLEX WITH PUTRESCINE PSEUDOMONAS AERUGINOSA POLYAMINE BINDING PUTRESCINE TRANSPORT PROTEIN
Ref.: STRUCTURAL BASIS OF SUBSTRATE BINDING SPECIFICITY R BY THE CRYSTAL STRUCTURES OF POLYAMINE RECEPTORS SP SPUE FROM PSEUDOMONAS AERUGINOSA J.MOL.BIOL. V. 416 697 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3TTM Kd = 3 nM PUT C4 H12 N2 C(CCN)CN
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 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
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: PUT; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 PUT 1 1
2 13D 0.666667 0.8
3 N2P 0.636364 0.947368
4 16D 0.636364 0.9
5 DIA 0.583333 0.9
6 AML 0.5 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TTM; Ligand: PUT; 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: 3ttm.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3TTM; Ligand: PUT; 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: 3ttm.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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