Receptor
PDB id Resolution Class Description Source Keywords
5e97 1.63 Å EC: 3.2.1.166 GLYCOSIDE HYDROLASE LIGAND STRUCTURE 1 HOMO SAPIENS GLYCOSIDE HYDROLASE LIGAND 1 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:605;
A:607;
A:606;
B:201;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
35.453 Cl [Cl-]
NAG A:604;
A:601;
A:603;
A:602;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
221.208 C8 H15 N O6 CC(=O...
BDP NPO NDG BDP NDG C:1;
 Valid;
 none;
 submit data
895.73 n/a O=[N+...
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 NDG BDP NDG; Similar ligands found: 61
No: Ligand ECFP6 Tc MDL keys Tc
1 BDP NPO NDG BDP NDG 1 1
2 BDP NPO GNS BDP GNS BDP GNS 0.747573 0.769231
3 BDP NPO GNS BDP 0.688679 0.75641
4 6Y2 0.677083 1
5 BDP NPO GNS IDS GNS BDP GNS 0.65812 0.769231
6 LEC NGA 0.578431 1
7 LEC 0.557895 0.953125
8 6ZC 0.557895 0.953125
9 RCB 0.535354 0.828125
10 NPJ 0.530612 0.828125
11 NAG BDP NAG BDP NAG BDP NAG 0.527778 0.78125
12 NAG GCU NAG GCD 0.504202 0.735294
13 A2G NPO GAL 0.490566 0.984375
14 UMG 0.474138 0.73913
15 NAG NAG NAG NAG NAG NAG 0.47 0.765625
16 NAG NAG NAG NAG NAG 0.47 0.765625
17 NDG NAG NAG NAG NAG 0.47 0.765625
18 NAG NAG NAG NAG NAG NAG NAG NAG 0.47 0.765625
19 AMV NAG AMU NAG 0.464286 0.769231
20 GUM 0.456897 0.73913
21 BGC GAL NGA 0.456311 0.703125
22 MBG A2G 0.454545 0.707692
23 NAG NAG BMA MAN NAG 0.452174 0.765625
24 MAN NAG GAL 0.451923 0.703125
25 BDP GNS BDP GNS BDP GNS BDP 0.443478 0.628205
26 PNW 0.442105 0.796875
27 NBZ GLA 0.442105 0.796875
28 PNA 0.442105 0.796875
29 MBE 0.442105 0.796875
30 GLA NPO 0.442105 0.796875
31 147 0.442105 0.796875
32 PNG 0.442105 0.796875
33 KHP 0.44086 0.742424
34 GNS IDR GNS IDR GNS IDR GNS IDR 0.439655 0.628205
35 NAG NAG NAG NAG 0.439252 0.720588
36 NAG NAG NAG 0.439252 0.720588
37 NAG NAG NAG NAG NAG NAG NAG 0.439252 0.720588
38 BMA MAN MAN NAG GAL NAG 0.434426 0.75
39 GDL NAG 0.43 0.75
40 BMA MAN NAG 0.429907 0.703125
41 NAG NGT NAG 0.424779 0.684932
42 NAG NOJ NAG 0.423423 0.7
43 NAG NOJ NAG NAG 0.423423 0.714286
44 Z4S NAG NAG 0.423423 0.720588
45 GAL NAG GAL 0.420561 0.703125
46 BGC GAL GLA NGA 0.419643 0.703125
47 ASG IDR ASG IDR 0.416667 0.684211
48 NAA AMI NAA 0.415254 0.675325
49 AO3 0.415254 0.675325
50 NDG BMA MAN MAN NAG GAL NAG 0.414062 0.765625
51 NAG GAL NAG 0.412844 0.75
52 NAG NAG BMA MAN MAN NAG GAL NAG 0.410853 0.765625
53 MAN NAG 0.41 0.703125
54 MMA MAN NAG 0.407407 0.707692
55 Z3Q NGA 0.405405 0.732394
56 NAG NAG BMA 0.405405 0.705882
57 NAG GAL NAG GAL NAG GAL 0.401786 0.765625
58 GAL NAG GAL NAG GAL 0.401786 0.75
59 NAG GAL NAG GAL 0.401786 0.75
60 BGC GAL NAG 0.4 0.703125
61 BDP ASG BDP ASG BDP ASG 0.4 0.65
Similar Ligands (3D)
Ligand no: 1; Ligand: BDP NPO NDG BDP NDG; 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
APoc FAQ
Feedback