Receptor
PDB id Resolution Class Description Source Keywords
2YFB 1.9 Å NON-ENZYME: BINDING X-RAY STRUCTURE OF MCPS LIGAND BINDING DOMAIN IN COMPLEX WITH SUCCINATE PSEUDOMONAS PUTIDA CHEMORECEPTOR SIGNAL TRANSDUCTION RECEPTOR
Ref.: EVIDENCE FOR CHEMORECEPTORS WITH BIMODULAR LIGAND-B REGIONS HARBORING TWO SIGNAL-BINDING SITES. PROC.NATL.ACAD.SCI.USA V. 109 18926 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:501;
B:501;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
SIN A:500;
B:500;
Valid;
Valid;
none;
none;
submit data
118.088 C4 H6 O4 C(CC(...
SO4 A:1278;
B:1278;
B:1279;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YFB 1.9 Å NON-ENZYME: BINDING X-RAY STRUCTURE OF MCPS LIGAND BINDING DOMAIN IN COMPLEX WITH SUCCINATE PSEUDOMONAS PUTIDA CHEMORECEPTOR SIGNAL TRANSDUCTION RECEPTOR
Ref.: EVIDENCE FOR CHEMORECEPTORS WITH BIMODULAR LIGAND-B REGIONS HARBORING TWO SIGNAL-BINDING SITES. PROC.NATL.ACAD.SCI.USA V. 109 18926 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 544 families.
1 2YFB - SIN C4 H6 O4 C(CC(=O)O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 420 families.
1 2YFB - SIN C4 H6 O4 C(CC(=O)O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 2YFB - SIN C4 H6 O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 SIN 1 1
2 3OH 0.6 0.65
3 SHF 0.588235 0.684211
4 GUA 0.5625 0.882353
5 0L1 0.5625 0.833333
6 BUA 0.5625 0.611111
7 SLP 0.5625 0.6
8 AKG 0.526316 0.833333
9 MLA 0.5 0.722222
10 2IT 0.5 0.625
11 PML 0.5 0.789474
12 AZ1 0.473684 0.75
13 SSN 0.473684 0.866667
14 OKG 0.454545 0.7
15 TCE 0.45 0.625
16 SHO 0.428571 0.619048
17 9J3 0.416667 0.608696
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YFB; Ligand: SIN; 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: 2yfb.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2YFB; Ligand: SIN; 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: 2yfb.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback