Receptor
PDB id Resolution Class Description Source Keywords
5L77 1.24 Å EC: 7.-.-.- A GLYCOSIDE HYDROLASE MUTANT WITH AN UNREACTED ACTIVITY BASE BOUND ACIDOBACTERIUM CAPSULATUM HYDROLASE
Ref.: ACTIVITY-BASED PROBES FOR FUNCTIONAL INTERROGATION RETAINING BETA-GLUCURONIDASES. NAT. CHEM. BIOL. V. 13 867 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:501;
A:504;
A:502;
A:503;
A:505;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
94.971 O4 P [O-]P...
GOL A:508;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
GUX A:506;
 Valid;
 none;
 ic50 = 0.1 nM
342.391 C15 H26 N4 O5 C(CCC...
CL A:507;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5L77 1.24 Å EC: 7.-.-.- A GLYCOSIDE HYDROLASE MUTANT WITH AN UNREACTED ACTIVITY BASE BOUND ACIDOBACTERIUM CAPSULATUM HYDROLASE
Ref.: ACTIVITY-BASED PROBES FOR FUNCTIONAL INTERROGATION RETAINING BETA-GLUCURONIDASES. NAT. CHEM. BIOL. V. 13 867 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 5L77 ic50 = 0.1 nM GUX C15 H26 N4 O5 C(CCCCN1[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 5L77 ic50 = 0.1 nM GUX C15 H26 N4 O5 C(CCCCN1[C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 5L77 ic50 = 0.1 nM GUX C15 H26 N4 O5 C(CCCCN1[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GUX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 GUX 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: GUX; 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 : 5L77; Ligand: GUX; 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: 5l77.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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