Receptor
PDB id Resolution Class Description Source Keywords
6RV9 1.64 Å EC: 3.1.1.- CRYSTAL STRUCTURE OF GLUCURONOYL ESTERASE FROM CERRENA UNICO INACTIVE S270A VARIANT IN COMPLEX WITH THE ALDOURONIC ACID CERRENA UNICOLOR CE15 ESTERASE ALPHA/BETA-HYDROLASE LIGAND-BOUND HYDROLAS
Ref.: THE STRUCTURAL BASIS OF FUNGAL GLUCURONOYL ESTERASE ON NATURAL SUBSTRATES. NAT COMMUN V. 11 1026 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:502;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
XYL XYP XYP GCV XYP C:1;
 Valid;
 none;
 submit data
737.634 n/a O=C([...
NAG A:501;
B:501;
 Invalid;
Invalid;
 none;
none;
 submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6RU1 1.39 Å EC: 3.1.1.- CRYSTAL STRUCTURE OF GLUCURONOYL ESTERASE FROM CERRENA UNICO INACTIVE S270A VARIANT IN COMPLEX WITH THE ALDOURONIC ACID CERRENA UNICOLOR CE15 ESTERASE ALPHA/BETA-HYDROLASE LIGAND-BOUND HYDROLAS
Ref.: THE STRUCTURAL BASIS OF FUNGAL GLUCURONOYL ESTERASE ON NATURAL SUBSTRATES. NAT COMMUN V. 11 1026 2020
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 6RV7 - XYL XYP XYP GCV n/a n/a
2 6RV9 - XYL XYP XYP GCV XYP n/a n/a
3 6RU1 - XYP XYP GCV n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 6RV7 - XYL XYP XYP GCV n/a n/a
2 6RV9 - XYL XYP XYP GCV XYP n/a n/a
3 6RU1 - XYP XYP GCV n/a n/a
4 6RV8 - XYP XYP n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 6RV7 - XYL XYP XYP GCV n/a n/a
2 6RV9 - XYL XYP XYP GCV XYP n/a n/a
3 6RU1 - XYP XYP GCV n/a n/a
4 6RV8 - XYP XYP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XYL XYP XYP GCV XYP; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 XYL XYP XYP GCV XYP 1 1
2 XYL XYP XYP GCV 0.827957 1
3 XYP XYP GCV XYP 0.670103 0.923077
4 XYP XYP XYP GCV 0.548077 0.923077
5 XYP XYP GCV 0.519608 0.923077
Similar Ligands (3D)
Ligand no: 1; Ligand: XYL XYP XYP GCV XYP; 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 : 6RU1; Ligand: XYP XYP GCV; 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: 6ru1.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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