Receptor
PDB id Resolution Class Description Source Keywords
2PFY 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DCTP7, 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:302;
B:302;
C:302;
D:302;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 0.3 uM
129.114 C5 H7 N O3 C1CC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PFY 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DCTP7, 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 2PFY Kd = 0.3 uM 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 2PFY Kd = 0.3 uM 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 : 2PFY; Ligand: PCA; Similar sites found: 16
This union binding pocket(no: 1) in the query (biounit: 2pfy.bio3) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1W6P NDG GAL 0.009862 0.40543 None
2 1ZB6 DIN 0.03115 0.41037 1.3289
3 1ZB6 GST 0.0327 0.41037 1.3289
4 1OJK GLC BGC 0.01429 0.40266 1.99336
5 1AJS PLA 0.03374 0.4064 2.32558
6 4BT5 23B 0.003572 0.42566 2.33463
7 1OS7 TAU 0.02365 0.41176 2.82686
8 2E5A LAQ 0.02067 0.40816 2.99003
9 3DG6 MUC 0.01188 0.40657 2.99003
10 2PTR 2SA 0.02444 0.41071 3.0303
11 4PIV 2W4 0.01919 0.40475 3.98671
12 1NVM NAD 0.0383 0.40755 4.16667
13 1QPR PPC 0.02875 0.40166 4.22535
14 1N2X SAM 0.03414 0.40514 5.31561
15 1GSA ADP 0.01493 0.41445 7.6412
16 1ZM1 BGC BGC BGC 0.01711 0.40537 14.9378
Pocket No.: 2; Query (leader) PDB : 2PFY; Ligand: PCA; Similar sites found: 3
This union binding pocket(no: 2) in the query (biounit: 2pfy.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4A8H PUW 0.01169 0.41731 2.99003
2 4A8T PAO 0.01168 0.41255 2.99003
3 2ZMF CMP 0.02415 0.40084 5.29101
Pocket No.: 3; Query (leader) PDB : 2PFY; Ligand: PCA; Similar sites found: 5
This union binding pocket(no: 3) in the query (biounit: 2pfy.bio4) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DR1 NAP 0.04325 0.40142 2.1164
2 4MAE PQQ 0.005566 0.43658 2.32558
3 4HMT NNV 0.03159 0.40563 4
4 2AOU CQA 0.01666 0.402 4.45205
5 1U0A BGC BGC BGC BGC 0.006848 0.43045 5.60748
Pocket No.: 4; Query (leader) PDB : 2PFY; Ligand: PCA; Similar sites found: 3
This union binding pocket(no: 4) in the query (biounit: 2pfy.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3NDJ SAH 0.04424 0.41865 2.32558
2 3NDJ JHZ 0.04424 0.41865 2.32558
3 2OMN IPH 0.005327 0.40024 4.60829
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