Receptor
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
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-]
BMA BGC B:1;
Valid;
none;
submit data
n/a n/a
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 BGC; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: BMA BGC; Similar ligands found: 68
No: Ligand Similarity coefficient
1 BMA BGC 1.0000
2 BGC BGC 0.9790
3 BMA GAL 0.9734
4 ABL 0.9720
5 GLC GLC 0.9681
6 SHG BGC 0.9676
7 BMA BMA 0.9626
8 IFM BGC 0.9610
9 SGC BGC 0.9598
10 GLC BGC 0.9584
11 9MR 0.9583
12 BGC Z9D 0.9576
13 NOY BGC 0.9561
14 BGC GAL 0.9488
15 GCS GCS 0.9471
16 BGC OXZ 0.9421
17 MGL SGC 0.9409
18 PA1 GCS 0.9359
19 GLC GAL 0.9303
20 BEM BEM 0.9255
21 SA0 0.9246
22 MGL GAL 0.9243
23 BEM LGU 0.9192
24 MAN BMA 0.9179
25 BMA IFM 0.9155
26 IFM BMA 0.9155
27 GLO BGC 0.9142
28 IDC 0.9138
29 FRU GAL 0.9134
30 ISX 0.9077
31 ZT2 0.9066
32 MVL BMA 0.9027
33 BMA MVL 0.9024
34 683 0.8891
35 6EN 0.8879
36 MAV BEM 0.8870
37 FHI 0.8848
38 MYG 0.8838
39 XYP XYP 0.8818
40 BNY 0.8812
41 GAL NGT 0.8810
42 GCU BGC 0.8803
43 64I 0.8797
44 BGC GLC 0.8796
45 NOK GAL 0.8749
46 NGT GAL 0.8737
47 1FL 0.8718
48 RR7 GLC 0.8717
49 XYS XYS 0.8689
50 MHD GAL 0.8676
51 K3Q 7CV 0.8644
52 XYP XIF 0.8627
53 XIF XYP 0.8627
54 GAL FUC 0.8626
55 NFG 0.8612
56 IXM 0.8600
57 47N 0.8594
58 M3W 0.8594
59 FLF 0.8589
60 NAG GAL 0.8585
61 Z16 0.8576
62 XIL 0.8576
63 NAB 0.8575
64 BQZ 0.8538
65 VT3 0.8536
66 XYS XYP 0.8527
67 GLA GLA 0.8525
68 6WL 0.8517
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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