-->
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(...
View in 3D viewer
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 1443 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 1205 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 1039 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 with APoc: 29
This union binding pocket(no: 1) in the query (biounit: 2pfy.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1GZW GAL BGC None
2 1W6P NDG GAL None
3 1W6O LAT None
4 1ZB6 DIN 1.3289
5 1ZB6 GST 1.3289
6 1OJJ GLC GAL 1.99336
7 1OJK GLC BGC 1.99336
8 4EUO ABU 2.32558
9 1AJS PLA 2.32558
10 4BT5 23B 2.33463
11 2R0H CTO 2.43902
12 1OS7 AKG 2.82686
13 1OS7 TAU 2.82686
14 2E5A LAQ 2.99003
15 3DG6 MUC 2.99003
16 2PTR 2SA 3.0303
17 2YIP YIO 3.62319
18 2OVW CBI 3.65448
19 4PIV 2W4 3.98671
20 5O96 SAM 4.08163
21 1NVM NAD 4.16667
22 1QPR PPC 4.22535
23 2OMN IPH 4.60829
24 6CD1 PLG 4.65116
25 6CD1 PLS 4.65116
26 1N2X SAM 5.31561
27 1DUV PSQ 5.64784
28 1GSA ADP 7.6412
29 1ZM1 BGC BGC BGC 14.9378
Pocket No.: 2; Query (leader) PDB : 2PFY; Ligand: PCA; Similar sites found with APoc: 7
This union binding pocket(no: 2) in the query (biounit: 2pfy.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 6FKW PQQ 2.32558
2 4A8H PUW 2.99003
3 4A8T PAO 2.99003
4 1YKD CMP 2.99003
5 2ZMF CMP 5.29101
6 2PQ9 GG9 5.31561
7 3B8X G4M 6.64452
Pocket No.: 3; Query (leader) PDB : 2PFY; Ligand: PCA; Similar sites found with APoc: 10
This union binding pocket(no: 3) in the query (biounit: 2pfy.bio4) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1DR1 NAP 2.1164
2 1DR1 HBI 2.1164
3 6EOZ AKG 3.32226
4 6EOZ 58K 3.32226
5 3FSY SCA 3.98671
6 4HMT NNV 4
7 2AOU CQA 4.45205
8 5K21 6QF 4.96454
9 1U0A BGC BGC BGC BGC 5.60748
10 5BVT PAM 8.95522
Pocket No.: 4; Query (leader) PDB : 2PFY; Ligand: PCA; Similar sites found with APoc: 3
This union binding pocket(no: 4) in the query (biounit: 2pfy.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3OYW TDG None
2 3NDJ SAH 2.32558
3 3NDJ JHZ 2.32558
APoc FAQ
Feedback