Receptor
PDB id Resolution Class Description Source Keywords
5A1S 2.5 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE SODIUM-DEPENDENT CITRATE SYMPORTER FORM SALMONELLA ENTERICA. SALMONELLA ENTERICA TRANSPORT PROTEIN MEMBRANE PROTEIN SYMPORTER TRANSPORTERCARBOXYLATE TRANSPORTER
Ref.: MECHANISM OF NA(+)-DEPENDENT CITRATE TRANSPORT FROM STRUCTURE OF AN ASYMMETRICAL CITS DIMER. ELIFE V. 4 09375 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MES D:1453;
Invalid;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
BOG D:1454;
A:1450;
A:1456;
C:1448;
C:1447;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
292.369 C14 H28 O6 CCCCC...
NA A:501;
D:502;
C:502;
B:502;
D:501;
A:502;
C:501;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
FLC B:1449;
A:1454;
C:1446;
A:1449;
D:1449;
A:1453;
B:1450;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
submit data
189.1 C6 H5 O7 C(C(=...
CL A:1452;
D:1451;
D:1452;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
UND A:1451;
D:1450;
Invalid;
Invalid;
none;
none;
submit data
156.308 C11 H24 CCCCC...
PTY A:1455;
Invalid;
none;
submit data
734.039 C40 H80 N O8 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5A1S 2.5 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE SODIUM-DEPENDENT CITRATE SYMPORTER FORM SALMONELLA ENTERICA. SALMONELLA ENTERICA TRANSPORT PROTEIN MEMBRANE PROTEIN SYMPORTER TRANSPORTERCARBOXYLATE TRANSPORTER
Ref.: MECHANISM OF NA(+)-DEPENDENT CITRATE TRANSPORT FROM STRUCTURE OF AN ASYMMETRICAL CITS DIMER. ELIFE V. 4 09375 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5A1S - FLC C6 H5 O7 C(C(=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 175 families.
1 5A1S - FLC C6 H5 O7 C(C(=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 149 families.
1 5A1S - FLC C6 H5 O7 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FLC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FLC 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5A1S; Ligand: FLC; 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: 5a1s.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5A1S; Ligand: FLC; 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: 5a1s.bio2) has 3 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5A1S; Ligand: FLC; 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: 5a1s.bio2) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5A1S; Ligand: FLC; 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: 5a1s.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5A1S; Ligand: FLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5a1s.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5A1S; Ligand: FLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5a1s.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5A1S; Ligand: FLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 5a1s.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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