Receptor
PDB id Resolution Class Description Source Keywords
5E98 1.63 Å EC: 3.2.1.166 CRYSTAL STRUCTURE OF HUMAN HEPARANASE IN COMPLEX WITH HEPMER HOMO SAPIENS GLYCOSIDE HYDROLASE HEPARAN PROTEIN SUGAR HYDROLASE
Ref.: STRUCTURAL CHARACTERIZATION OF HUMAN HEPARANASE REV INSIGHTS INTO SUBSTRATE RECOGNITION. NAT.STRUCT.MOL.BIOL. V. 22 1016 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1005;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
NAG A:1003;
A:1004;
A:1002;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
221.208 C8 H15 N O6 CC(=O...
BDP NPO GNS BDP C:1;
 Valid;
 none;
 submit data
731.57 n/a S(=O)...
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: BDP NPO GNS BDP; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 BDP NPO GNS BDP 1 1
2 BDP NPO GNS BDP GNS BDP GNS 0.845361 0.986486
3 BDP NPO GNS IDS GNS BDP GNS 0.738739 0.986486
4 BDP NPO NDG BDP NDG 0.688679 0.75641
5 BDP GNS BDP GNS BDP GNS BDP 0.65 0.863014
6 GNS IDR GNS IDR GNS IDR GNS IDR 0.643564 0.863014
7 NPJ 0.520408 0.702703
8 RCB 0.51 0.702703
9 6Y2 0.46789 0.75641
10 ASG IDR ASG IDR 0.432203 0.779221
11 PNG 0.431579 0.675676
12 PNW 0.431579 0.675676
13 MBE 0.431579 0.675676
14 PNA 0.431579 0.675676
15 147 0.431579 0.675676
16 NBZ GLA 0.431579 0.675676
17 GLA NPO 0.431579 0.675676
18 KHP 0.430108 0.631579
19 A2G NPO GAL 0.427273 0.766234
20 C3G 0.42268 0.630137
21 6ZC 0.413462 0.74026
22 LEC 0.413462 0.74026
23 LEC NGA 0.403509 0.75641
Similar Ligands (3D)
Ligand no: 1; Ligand: BDP NPO GNS BDP; 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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