Receptor
PDB id Resolution Class Description Source Keywords
6CS8 1.75 Å NON-ENZYME: SIGNAL_HORMONE HIGH RESOLUTION CRYSTAL STRUCTURE OF FTSY-NG DOMAIN OF E. CO ESCHERICHIA COLI (STRAIN K12) COTRANSLATIONAL DELIVERY SRP PROTEIN TRANSPORT
Ref.: DISCOVERY OF FRAGMENTS THAT TARGET KEY INTERACTIONS SIGNAL RECOGNITION PARTICLE (SRP) AS POTENTIAL LEAD NEW CLASS OF ANTIBIOTICS. PLOS ONE V. 13 00387 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA B:503;
Part of Protein;
none;
submit data
22.99 Na [Na+]
F9Y B:501;
B:502;
A:501;
A:502;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd ~ 100 uM
142.157 C9 H6 N2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6CS8 1.75 Å NON-ENZYME: SIGNAL_HORMONE HIGH RESOLUTION CRYSTAL STRUCTURE OF FTSY-NG DOMAIN OF E. CO ESCHERICHIA COLI (STRAIN K12) COTRANSLATIONAL DELIVERY SRP PROTEIN TRANSPORT
Ref.: DISCOVERY OF FRAGMENTS THAT TARGET KEY INTERACTIONS SIGNAL RECOGNITION PARTICLE (SRP) AS POTENTIAL LEAD NEW CLASS OF ANTIBIOTICS. PLOS ONE V. 13 00387 2018
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 301 families.
1 5NIY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 6CS8 Kd ~ 100 uM F9Y C9 H6 N2 c1cc(cc2c1....
3 6FQD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 6N6N - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
5 6DLX Kd ~ 480 uM GXY C8 H10 Br N O2 COc1cc(c(c....
6 6NC4 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
7 6NC1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 6CVD Kd ~ 100 uM 4ME C10 H9 N O2 COC(=O)c1c....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 221 families.
1 5NIY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 6CS8 Kd ~ 100 uM F9Y C9 H6 N2 c1cc(cc2c1....
3 6FQD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 6N6N - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
5 6DLX Kd ~ 480 uM GXY C8 H10 Br N O2 COc1cc(c(c....
6 6NC4 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
7 6NC1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 6CVD Kd ~ 100 uM 4ME C10 H9 N O2 COC(=O)c1c....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2IYL - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 2Q9C - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
3 2Q9B - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
4 5L3W - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 5NIY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
6 6CS8 Kd ~ 100 uM F9Y C9 H6 N2 c1cc(cc2c1....
7 6FQD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 6N6N - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
9 6DLX Kd ~ 480 uM GXY C8 H10 Br N O2 COc1cc(c(c....
10 6NC4 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
11 6NC1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
12 6CVD Kd ~ 100 uM 4ME C10 H9 N O2 COC(=O)c1c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: F9Y; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 F9Y 1 1
2 FK1 0.44186 0.681818
3 1F1 0.404255 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6CS8; Ligand: F9Y; 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: 6cs8.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6CS8; Ligand: F9Y; 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: 6cs8.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6CS8; Ligand: F9Y; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6cs8.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6CS8; Ligand: F9Y; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 6cs8.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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