Receptor
PDB id Resolution Class Description Source Keywords
2PFZ 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DCTP6, A BORDETELLA PERTUSSIS EXTRACYTOPLASMIC SOLUTE RECEPTOR BINDING PYROGLUTAMIC ACID BORDETELLA PERTUSSIS TOHAMA I EXTRACYTOPLASMIC SOLUTE RECEPTOR TRIPARTITE ATP INDEPENDENT PERIPLASMIC TRANSPORT PYROGLUTAMIC ACID LIGAND BINDING TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURES OF TWO BORDETELLA PERTUSSIS PERIPLASMIC RECEPTORS CONTRIBUTE TO DEFINING A NOVEL PYROGLUTAMIC ACID BINDING DCTP SUBFAMILY. J.MOL.BIOL. V. 370 93 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PCA A:1;
Valid;
none;
submit data
129.114 C5 H7 N O3 C1CC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PFZ 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DCTP6, A BORDETELLA PERTUSSIS EXTRACYTOPLASMIC SOLUTE RECEPTOR BINDING PYROGLUTAMIC ACID BORDETELLA PERTUSSIS TOHAMA I EXTRACYTOPLASMIC SOLUTE RECEPTOR TRIPARTITE ATP INDEPENDENT PERIPLASMIC TRANSPORT PYROGLUTAMIC ACID LIGAND BINDING TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURES OF TWO BORDETELLA PERTUSSIS PERIPLASMIC RECEPTORS CONTRIBUTE TO DEFINING A NOVEL PYROGLUTAMIC ACID BINDING DCTP SUBFAMILY. J.MOL.BIOL. V. 370 93 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2PFZ - PCA C5 H7 N O3 C1CC(=O)N[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 2PFZ - PCA C5 H7 N O3 C1CC(=O)N[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2PFZ - PCA C5 H7 N O3 C1CC(=O)N[....
2 2PFY Kd = 0.3 uM PCA C5 H7 N O3 C1CC(=O)N[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PCA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PCA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PFZ; Ligand: PCA; Similar sites found: 13
This union binding pocket(no: 1) in the query (biounit: 2pfz.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1VLJ NAP 0.044 0.40578 2.65781
2 1H5R G1P 0.01458 0.4033 2.73038
3 1IIM TTP 0.04708 0.40387 2.73973
4 3P7I P7I 0.01312 0.40401 2.99003
5 5TCI 79V 0.03091 0.4035 3.62319
6 3UYK 0CX 0.02058 0.427 3.65448
7 1W6P NDG GAL 0.01228 0.40045 3.73134
8 4MAE PQQ 0.01453 0.4112 3.98671
9 1XNK XS2 0.00993 0.41824 4.08163
10 1LCP PLU 0.01331 0.41149 4.31894
11 1N2X SAM 0.04152 0.40006 6.31229
12 3HVJ 705 0.02025 0.43043 7.23982
13 2B8T THM 0.03158 0.40043 16.5919
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