Receptor
PDB id Resolution Class Description Source Keywords
4rp8 2.36 Å EC: 7.-.-.- BACTERIAL VITAMIN C TRANSPORTER ULAA/SGAT IN P21 FORM ESCHERICHIA COLI K-12 PTS VITAMIN C TRANSPORTER L-ASCORBATE L-ASCORBATE-6-P MEPROTEIN
Ref.: CRYSTAL STRUCTURE OF A PHOSPHORYLATION-COUPLED VITA TRANSPORTER NAT.STRUCT.MOL.BIOL. 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASC C:501;
A:501;
Valid;
Valid;
none;
none;
Kd = 6.1 uM
176.124 C6 H8 O6 C([C@...
BNG C:502;
Invalid;
none;
submit data
306.395 C15 H30 O6 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RP9 1.65 Å EC: 7.-.-.- BACTERIAL VITAMIN C TRANSPORTER ULAA/SGAT IN C2 FORM ESCHERICHIA COLI K-12 PTS VITAMIN C TRANSPORTER L-ASCORBATE L-ASCORBATE-6-P MEPROTEIN
Ref.: CRYSTAL STRUCTURE OF A PHOSPHORYLATION-COUPLED VITA TRANSPORTER NAT.STRUCT.MOL.BIOL. 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4RP8 Kd = 6.1 uM ASC C6 H8 O6 C([C@@H]([....
2 4RP9 Kd = 6.1 uM ASC C6 H8 O6 C([C@@H]([....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 4RP8 Kd = 6.1 uM ASC C6 H8 O6 C([C@@H]([....
2 4RP9 Kd = 6.1 uM ASC C6 H8 O6 C([C@@H]([....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 4RP8 Kd = 6.1 uM ASC C6 H8 O6 C([C@@H]([....
2 4RP9 Kd = 6.1 uM ASC C6 H8 O6 C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 ASC 1 1
2 ISD 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RP9; Ligand: ASC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4rp9.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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