Receptor
PDB id Resolution Class Description Source Keywords
3WKH 1.64 Å EC: 5.1.3.11 CRYSTAL STRUCTURE OF CELLOBIOSE 2-EPIMERASE IN COMPLEX WITH 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...
BMA GAL B:1;
Valid;
none;
submit data
n/a n/a
CL A:501;
Invalid;
none;
submit data
35.453 Cl [Cl-]
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: BMA GAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: BMA GAL; Similar ligands found: 55
No: Ligand Similarity coefficient
1 BMA GAL 1.0000
2 BMA BGC 0.9734
3 BGC GAL 0.9729
4 GLC GAL 0.9621
5 BGC BGC 0.9469
6 BGC Z9D 0.9433
7 ABL 0.9422
8 SHG BGC 0.9411
9 GLC GLC 0.9409
10 GLC BGC 0.9356
11 MGL GAL 0.9354
12 FRU GAL 0.9350
13 BMA BMA 0.9343
14 IFM BGC 0.9318
15 NOY BGC 0.9276
16 GCS GCS 0.9264
17 SGC BGC 0.9257
18 9MR 0.9236
19 PA1 GCS 0.9173
20 BGC OXZ 0.9149
21 MGL SGC 0.9085
22 BEM LGU 0.9044
23 BEM BEM 0.9038
24 GLO BGC 0.8988
25 IDC 0.8974
26 GAL NOK 0.8971
27 NOK GAL 0.8971
28 GAL NGT 0.8963
29 IFM BMA 0.8957
30 MAN BMA 0.8892
31 683 0.8861
32 6EN 0.8860
33 MAV BEM 0.8841
34 NGT GAL 0.8824
35 GAL GC2 0.8804
36 MHD GAL 0.8784
37 FUC GAL 0.8782
38 ISX 0.8774
39 BNY 0.8749
40 ZT2 0.8734
41 MVL BMA 0.8729
42 BQZ 0.8721
43 MYG 0.8719
44 NGA GAL 0.8712
45 GLA GLA 0.8699
46 NAG GAL 0.8697
47 1FL 0.8693
48 GAL FUC 0.8685
49 NDG GAL 0.8658
50 A2G GAL 0.8625
51 47N 0.8619
52 XYP XYP 0.8607
53 MGC GAL 0.8606
54 GAL NPO 0.8592
55 147 0.8583
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
APoc FAQ
Feedback