Receptor
PDB id Resolution Class Description Source Keywords
4PXQ 2.2 Å EC: 5.1.3.17 CRYSTAL STRUCTURE OF D-GLUCURONYL C5-EPIMERASE IN COMPLEX WI HEXASACCHARIDE DANIO RERIO EPIMERIZATION ENZYME MULTIPLE DOMAIN STRUCTURE HEPARAN SULEPIMERASE HEPARIN HEPARAN SULFATE ISOMERASE
Ref.: STRUCTURAL AND FUNCTIONAL STUDY OF D-GLUCURONYL C5-EPIMERASE. J.BIOL.CHEM. V. 290 4620 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SGN IDS SGN IDS SGN UAP D:1;
C:1;
 Valid;
Valid;
 none;
none;
 submit data
1720.31 n/a S(=O)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PXQ 2.2 Å EC: 5.1.3.17 CRYSTAL STRUCTURE OF D-GLUCURONYL C5-EPIMERASE IN COMPLEX WI HEXASACCHARIDE DANIO RERIO EPIMERIZATION ENZYME MULTIPLE DOMAIN STRUCTURE HEPARAN SULEPIMERASE HEPARIN HEPARAN SULFATE ISOMERASE
Ref.: STRUCTURAL AND FUNCTIONAL STUDY OF D-GLUCURONYL C5-EPIMERASE. J.BIOL.CHEM. V. 290 4620 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4PXQ - SGN IDS SGN IDS SGN UAP n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4PXQ - SGN IDS SGN IDS SGN UAP n/a n/a
2 6I02 - IDR GNS IDR GNS IDR GNS IDR n/a n/a
3 6I01 - BDP GNS BDP GNS BDP GNS BDP n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4PXQ - SGN IDS SGN IDS SGN UAP n/a n/a
2 6I02 - IDR GNS IDR GNS IDR GNS IDR n/a n/a
3 6I01 - BDP GNS BDP GNS BDP GNS BDP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SGN IDS SGN IDS SGN UAP; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 SGN IDS SGN UAP 1 1
2 SGN IDS SGN IDS SGN UAP 1 1
3 IDS SGN IDS SGN UAP 0.794643 0.969231
4 SGN IDS SGN IDS 0.757282 0.96875
5 SGN IDS SGN IDS SGN 0.681416 0.939394
6 IDS SGN IDS SGN IDS 0.583333 0.953846
7 GNS UAP 0.582524 0.969231
8 IDS SGN IDS SGN IDS SGN 0.578512 0.939394
9 IDS SGN IDS SGN IDS SUS IDS SGN 0.556452 0.953846
10 ZDO IDS SUS BDP SGN 0.534884 0.925373
11 SGN IDU 0.5 0.938462
12 IDY SGN 0.5 0.910448
13 SGN UAP 0.482456 0.925373
14 IDY SUS 0.464912 0.880597
15 GNS IDR GNS IDR GNS IDR GNS IDR 0.441667 0.953846
16 BDP NPO GNS IDS GNS BDP GNS 0.438849 0.815789
17 IDY GNX 0.408696 0.867647
18 8EX GCD 0.408333 0.880597
Similar Ligands (3D)
Ligand no: 1; Ligand: SGN IDS SGN IDS SGN UAP; 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 : 4PXQ; Ligand: SGN IDS SGN IDS SGN UAP; 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: 4pxq.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4PXQ; Ligand: SGN IDS SGN IDS SGN UAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4pxq.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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