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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
UAP SGN IDS SGN IDS SGN B:801;
A:801;
Valid;
Valid;
none;
none;
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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 1 families.
1 4PXQ - UAP SGN IDS SGN IDS SGN n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4PXQ - UAP SGN IDS SGN IDS SGN n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4PXQ - UAP SGN IDS SGN IDS SGN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UAP SGN IDS SGN IDS SGN; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 SGN IDS UAP SGN IDS SGN 1 1
2 UAP SGN IDS SGN IDS SGN 1 1
3 UAP SGN IDS SGN 1 1
4 SGN IDS UAP SGN 1 1
5 UAP SGN IDS SGN IDS 0.794643 0.969231
6 SGN IDS SGN IDS 0.757282 0.96875
7 H1S 0.739583 0.984375
8 SGN IDS SGN IDS SGN 0.681416 0.939394
9 IDS SGN IDS SGN IDS 0.583333 0.953846
10 H3S 0.582524 0.969231
11 IDS SGN IDS SGN IDS IDS 0.578512 0.939394
12 SGN IDS SGN IDS SGN IDS 0.578512 0.939394
13 IDS SGN IDS SGN IDS SUS IDS SGN 0.556452 0.953846
14 NGY BDP SGN IDS SGN BDP 0.507353 0.898551
15 SGN IXD 0.5 0.938462
16 SGN IDY 0.5 0.910448
17 IDU SGN 0.5 0.938462
18 SUS IDY 0.464912 0.880597
19 GNS BDP GNS IDS GNS BDP NPO 0.438849 0.815789
20 GNX IDY 0.408696 0.867647
21 GCD 8EX 0.408333 0.880597
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PXQ; Ligand: UAP SGN IDS SGN IDS SGN; Similar sites found with APoc: 8
This union binding pocket(no: 1) in the query (biounit: 4pxq.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 3S6X SIA GAL BGC 2.46154
3 4X8D AVI 3.13199
4 2BD0 BIO 3.68852
5 3ZJQ NCA 4.10256
6 4DXJ 0M9 4.14365
7 1PCA CIT 4.4665
8 4EHQ GBL 15.5405
Pocket No.: 2; Query (leader) PDB : 4PXQ; Ligand: UAP SGN IDS SGN IDS SGN; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 4pxq.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZQE DXC 3.27869
2 4NTO 1PW 3.86473
3 1WW5 SGA BGC 10
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