Receptor
PDB id Resolution Class Description Source Keywords
3UYK 1.7 Å EC: 2.4.1.- SPINOSYN RHAMNOSYLTRANSFERASE SPNG COMPLEXED WITH SPINOSYN A SACCHAROPOLYSPORA SPINOSA GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL STUDIES OF THE SPINOSYN RHAMNOSYLTRANSFE SPNG. BIOCHEMISTRY V. 51 1213 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0CX B:387;
 Valid;
 none;
 submit data
402.524 C24 H34 O5 CC[C@...
BGC B:388;
 Invalid;
 none;
 submit data
180.156 C6 H12 O6 C([C@...
MG A:387;
 Invalid;
 none;
 submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3UYK 1.7 Å EC: 2.4.1.- SPINOSYN RHAMNOSYLTRANSFERASE SPNG COMPLEXED WITH SPINOSYN A SACCHAROPOLYSPORA SPINOSA GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL STUDIES OF THE SPINOSYN RHAMNOSYLTRANSFE SPNG. BIOCHEMISTRY V. 51 1213 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 3UYK - 0CX C24 H34 O5 CC[C@H]1CC....
2 3UYL - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 32 families.
1 3UYK - 0CX C24 H34 O5 CC[C@H]1CC....
2 3UYL - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 3UYK - 0CX C24 H34 O5 CC[C@H]1CC....
2 3UYL - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 0CX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 0CX 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 0CX; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3UYK; Ligand: 0CX; 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: 3uyk.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
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