Receptor
PDB id Resolution Class Description Source Keywords
5L9Z 1.57 Å EC: 3.2.1.166 CRYSTAL STRUCTURE OF HUMAN HEPARANASE NUCLEOPHILE MUTANT (E3 COMPLEX WITH UNREACTED GLUCURONIC ACID CONFIGURED AZIRIDINEJ JB355 HOMO SAPIENS HEPARANASE PROBE GH79 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
EDO B:201;
A:607;
A:606;
A:610;
A:609;
A:608;
A:605;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
NAG A:604;
A:601;
A:602;
A:603;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
221.208 C8 H15 N O6 CC(=O...
CL A:611;
A:613;
A:612;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
35.453 Cl [Cl-]
GUX A:614;
 Valid;
 none;
 submit data
342.391 C15 H26 N4 O5 C(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5L9Z 1.57 Å EC: 3.2.1.166 CRYSTAL STRUCTURE OF HUMAN HEPARANASE NUCLEOPHILE MUTANT (E3 COMPLEX WITH UNREACTED GLUCURONIC ACID CONFIGURED AZIRIDINEJ JB355 HOMO SAPIENS HEPARANASE PROBE GH79 HYDROLASE
Ref.: ACTIVITY-BASED PROBES FOR FUNCTIONAL INTERROGATION RETAINING BETA-GLUCURONIDASES. NAT. CHEM. BIOL. V. 13 867 2017
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5E9B - BDP SGN BDP GNS n/a n/a
2 5E97 - BDP NPO NDG BDP NDG n/a n/a
3 5E9C - 5KV IDR SGN UAP n/a n/a
4 5E98 - BDP NPO GNS BDP n/a n/a
5 5L9Z - GUX C15 H26 N4 O5 C(CCCCN1[C....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5E9B - BDP SGN BDP GNS n/a n/a
2 5E97 - BDP NPO NDG BDP NDG n/a n/a
3 5E9C - 5KV IDR SGN UAP n/a n/a
4 5E98 - BDP NPO GNS BDP n/a n/a
5 5L9Z - GUX C15 H26 N4 O5 C(CCCCN1[C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5E9B - BDP SGN BDP GNS n/a n/a
2 5E97 - BDP NPO NDG BDP NDG n/a n/a
3 5E9C - 5KV IDR SGN UAP n/a n/a
4 5E98 - BDP NPO GNS BDP n/a n/a
5 5L9Z - 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 : 5L9Z; 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: 5l9z.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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