Receptor
PDB id Resolution Class Description Source Keywords
3WKI 2.19 Å EC: 5.1.3.11 CRYSTAL STRUCTURE OF CELLOBIOSE 2-EPIMERASE IN COMPLEX WITH CELLOBIITOL RHODOTHERMUS MARINUS (ALPHA/ALPHA)6 BARREL FOLD EPIMERASE CARBOHYDRATE/SUGAR BIEPIMERIZATION ISOMERASE
Ref.: STRUCTURAL INSIGHTS INTO THE EPIMERIZATION OF BETA-1,4-LINKED OLIGOSACCHARIDES CATALYZED BY CELLO 2-EPIMERASE, THE SOLE ENZYME EPIMERIZING NON-ANOMER HYDROXYL GROUPS OF UNMODIFIED SUGARS J.BIOL.CHEM. V. 289 3405 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:504;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
CL A:501;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
GLO BGC B:1;
 Valid;
 none;
 submit data
342.297 n/a O=CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WKG 1.47 Å EC: 5.1.3.11 CRYSTAL STRUCTURE OF CELLOBIOSE 2-EPIMERASE IN COMPLEX WITH GLUCOSYLMANNOSE RHODOTHERMUS MARINUS (ALPHA/ALPHA)6 BARREL FOLD EPIMERASE CARBOHYDRATE/SUGAR BIEPIMERIZATION ISOMERASE
Ref.: STRUCTURAL INSIGHTS INTO THE EPIMERIZATION OF BETA-1,4-LINKED OLIGOSACCHARIDES CATALYZED BY CELLO 2-EPIMERASE, THE SOLE ENZYME EPIMERIZING NON-ANOMER HYDROXYL GROUPS OF UNMODIFIED SUGARS J.BIOL.CHEM. V. 289 3405 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3WKI - GLO BGC n/a n/a
2 3WKH - BMA GAL n/a n/a
3 3WKG - BMA BGC 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 3WKI - GLO BGC n/a n/a
2 3WKH - BMA GAL n/a n/a
3 3WKG - BMA BGC 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 3WKI - GLO BGC n/a n/a
2 3WKH - BMA GAL n/a n/a
3 3WKG - BMA BGC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLO BGC; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 GLO BGC 1 1
2 GLO GLC GLC 0.734375 0.914286
3 GLO GLC GLC GLC 0.712121 0.914286
4 GLO GLC 0.703704 0.96875
5 GCO GAL 0.65 0.941176
6 CEZ 0.65 0.969697
7 GLC BGC BGC 0.550725 0.914286
8 SOR GLC GLC 0.521739 0.885714
9 OTU 0.507692 1
10 GLO BGC BGC XYS BGC XYS XYS 0.488636 0.888889
11 2M8 0.466667 0.939394
Similar Ligands (3D)
Ligand no: 1; Ligand: GLO BGC; Similar ligands found: 24
No: Ligand Similarity coefficient
1 BMA BGC 0.9142
2 FRU GAL 0.9118
3 BGC BGC 0.9065
4 NOY BGC 0.9062
5 GCU BGC 0.9030
6 BMA GAL 0.8988
7 GLC BGC 0.8972
8 9MR 0.8964
9 SHG BGC 0.8906
10 GLC GLC 0.8878
11 SA0 0.8859
12 ABL 0.8815
13 GCS GCS 0.8807
14 PA1 GCS 0.8805
15 BGC GAL 0.8796
16 IFM BGC 0.8789
17 BMA BMA 0.8752
18 ISX 0.8752
19 683 0.8744
20 BGC OXZ 0.8736
21 MAN BMA 0.8695
22 SGC BGC 0.8691
23 GLC GAL 0.8686
24 IFM BMA 0.8586
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WKG; Ligand: BMA BGC; 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: 3wkg.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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