Receptor
PDB id Resolution Class Description Source Keywords
2VH9 2.1 Å EC: 3.2.1.151 CRYSTAL STRUCTURE OF NXG1-DELTAYNIIG IN COMPLEX WITH XLLG, A XYLOGLUCAN DERIVED OLIGOSACCHARIDE TROPAEOLUM MAJUS HYDROLASE GLYCOSIDASE FAMILY GH16 TROPAEOLUM MAJUS XYLOGLXLLG OLIGOSACCHARIDE LOOP MUTANT NXG1-YNIIG SUBSTRATE COMGLYCOSIDE HYDROLASE
Ref.: ANALYSIS OF NASTURTIUM TMNXG1 COMPLEXES BY CRYSTALL AND MOLECULAR DYNAMICS PROVIDES DETAILED INSIGHT IN SUBSTRATE RECOGNITION BY FAMILY GH16 XYLOGLUCAN ENDO-TRANSGLYCOSYLASES AND ENDO-HYDROLASES. PROTEINS V. 75 820 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC BGC BGC XYS BGC XYS XYS GAL GAL A:1269;
Valid;
none;
submit data
1371.21 n/a O(C1O...
BGC BGC XYS BGC BGC XYS XYS GAL GAL B:1269;
Valid;
none;
submit data
1371.21 n/a O(C1O...
GOL A:1268;
B:1267;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ZN A:1267;
B:1268;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VH9 2.1 Å EC: 3.2.1.151 CRYSTAL STRUCTURE OF NXG1-DELTAYNIIG IN COMPLEX WITH XLLG, A XYLOGLUCAN DERIVED OLIGOSACCHARIDE TROPAEOLUM MAJUS HYDROLASE GLYCOSIDASE FAMILY GH16 TROPAEOLUM MAJUS XYLOGLXLLG OLIGOSACCHARIDE LOOP MUTANT NXG1-YNIIG SUBSTRATE COMGLYCOSIDE HYDROLASE
Ref.: ANALYSIS OF NASTURTIUM TMNXG1 COMPLEXES BY CRYSTALL AND MOLECULAR DYNAMICS PROVIDES DETAILED INSIGHT IN SUBSTRATE RECOGNITION BY FAMILY GH16 XYLOGLUCAN ENDO-TRANSGLYCOSYLASES AND ENDO-HYDROLASES. PROTEINS V. 75 820 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2VH9 - BGC BGC XYS BGC BGC XYS XYS GAL GAL 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 7 families.
1 2VH9 - BGC BGC XYS BGC BGC XYS XYS GAL GAL 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 4 families.
1 2VH9 - BGC BGC XYS BGC BGC XYS XYS GAL GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC BGC BGC XYS BGC XYS XYS GAL GAL; Similar ligands found: 72
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC XYS BGC XYS GAL 1 1
2 BGC BGC XYS BGC BGC XYS XYS GAL GAL 1 1
3 BGC BGC BGC XYS BGC XYS XYS GAL GAL 1 1
4 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.855422 0.972222
5 GAL BGC BGC BGC XYS XYS 0.855422 0.972222
6 GLC BGC BGC XYS BGC XYS XYS GAL 0.855422 0.972222
7 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.855422 0.972222
8 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.855422 0.972222
9 GAL BGC BGC BGC XYS BGC XYS 0.807229 0.972222
10 BGC BGC BGC XYS BGC XYS GAL 0.807229 0.972222
11 BGC BGC BGC XYS GAL 0.722892 0.972222
12 BGC BGC BGC XYS BGC XYS XYS 0.710843 0.972222
13 BGC BGC XYS BGC XYS BGC XYS 0.710843 0.972222
14 GLC BGC BGC XYS BGC XYS XYS 0.710843 0.972222
15 GLC GLC BGC XYS BGC XYS 0.698795 0.972222
16 GAL BGC BGC XYS 0.691358 0.972222
17 GLC BGC BGC BGC XYS BGC XYS XYS 0.689655 0.945946
18 BGC BGC BGC XYS BGC BGC 0.682353 0.972222
19 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.682353 0.972222
20 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.682353 0.972222
21 BGC BGC XYS BGC 0.635294 0.972222
22 NBG BGC BGC XYS BGC XYS XYS 0.630435 0.729167
23 GLC GLC XYS XYS 0.62963 0.944444
24 BMA MAN 0.573333 0.944444
25 GLO BGC BGC XYS BGC XYS XYS 0.539216 0.945946
26 BMA BMA BMA BMA GLA BMA GLA 0.485714 0.875
27 BMA BMA GLA BMA BMA 0.477778 0.916667
28 GLC GLC GLC BGC 0.466667 0.916667
29 GLC GLC GLC GLC GLC GLC 0.460674 0.916667
30 G2F BGC BGC BGC BGC BGC 0.438202 0.85
31 GLC GLC GLC GLC 0.422222 0.916667
32 LAT GLA 0.407407 0.916667
33 GLC BGC BGC BGC BGC BGC 0.4 0.916667
34 GLA GAL GLC 0.4 0.916667
35 BGC BGC BGC GLC 0.4 0.916667
36 BGC GLC GLC 0.4 0.916667
37 CE6 0.4 0.916667
38 MAN MAN BMA BMA BMA BMA 0.4 0.916667
39 CTR 0.4 0.916667
40 BGC GLC GLC GLC GLC 0.4 0.916667
41 CE5 0.4 0.916667
42 CTT 0.4 0.916667
43 DXI 0.4 0.916667
44 BGC BGC BGC BGC BGC BGC 0.4 0.916667
45 MAN BMA BMA BMA BMA 0.4 0.916667
46 GLC GAL GAL 0.4 0.916667
47 GLC BGC GLC 0.4 0.916667
48 GLC BGC BGC BGC BGC 0.4 0.916667
49 BMA BMA BMA BMA BMA BMA 0.4 0.916667
50 GLC GLC BGC 0.4 0.916667
51 MTT 0.4 0.916667
52 BMA BMA BMA BMA BMA 0.4 0.916667
53 CEX 0.4 0.916667
54 BGC GLC GLC GLC GLC GLC GLC 0.4 0.916667
55 B4G 0.4 0.916667
56 GAL GAL GAL 0.4 0.916667
57 GLC GLC GLC GLC GLC GLC GLC 0.4 0.916667
58 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.916667
59 MT7 0.4 0.916667
60 GLC GLC BGC GLC GLC GLC GLC 0.4 0.916667
61 BMA BMA BMA 0.4 0.916667
62 BGC GLC GLC GLC 0.4 0.916667
63 GLC GLC GLC GLC GLC 0.4 0.916667
64 MLR 0.4 0.916667
65 CE8 0.4 0.916667
66 BMA MAN BMA 0.4 0.916667
67 MAN BMA BMA 0.4 0.916667
68 CEY 0.4 0.916667
69 GLC BGC BGC 0.4 0.916667
70 GLC GLC GLC GLC GLC GLC GLC GLC 0.4 0.916667
71 CT3 0.4 0.916667
72 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.4 0.916667
Ligand no: 2; Ligand: BGC BGC XYS BGC BGC XYS XYS GAL GAL; Similar ligands found: 72
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC XYS BGC XYS GAL 1 1
2 BGC BGC XYS BGC BGC XYS XYS GAL GAL 1 1
3 BGC BGC BGC XYS BGC XYS XYS GAL GAL 1 1
4 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.855422 0.972222
5 GAL BGC BGC BGC XYS XYS 0.855422 0.972222
6 GLC BGC BGC XYS BGC XYS XYS GAL 0.855422 0.972222
7 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.855422 0.972222
8 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.855422 0.972222
9 GAL BGC BGC BGC XYS BGC XYS 0.807229 0.972222
10 BGC BGC BGC XYS BGC XYS GAL 0.807229 0.972222
11 BGC BGC BGC XYS GAL 0.722892 0.972222
12 BGC BGC BGC XYS BGC XYS XYS 0.710843 0.972222
13 BGC BGC XYS BGC XYS BGC XYS 0.710843 0.972222
14 GLC BGC BGC XYS BGC XYS XYS 0.710843 0.972222
15 GLC GLC BGC XYS BGC XYS 0.698795 0.972222
16 GAL BGC BGC XYS 0.691358 0.972222
17 GLC BGC BGC BGC XYS BGC XYS XYS 0.689655 0.945946
18 BGC BGC BGC XYS BGC BGC 0.682353 0.972222
19 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.682353 0.972222
20 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.682353 0.972222
21 BGC BGC XYS BGC 0.635294 0.972222
22 NBG BGC BGC XYS BGC XYS XYS 0.630435 0.729167
23 GLC GLC XYS XYS 0.62963 0.944444
24 BMA MAN 0.573333 0.944444
25 GLO BGC BGC XYS BGC XYS XYS 0.539216 0.945946
26 BMA BMA BMA BMA GLA BMA GLA 0.485714 0.875
27 BMA BMA GLA BMA BMA 0.477778 0.916667
28 GLC GLC GLC BGC 0.466667 0.916667
29 GLC GLC GLC GLC GLC GLC 0.460674 0.916667
30 G2F BGC BGC BGC BGC BGC 0.438202 0.85
31 GLC GLC GLC GLC 0.422222 0.916667
32 LAT GLA 0.407407 0.916667
33 GLC BGC BGC BGC BGC BGC 0.4 0.916667
34 GLA GAL GLC 0.4 0.916667
35 BGC BGC BGC GLC 0.4 0.916667
36 BGC GLC GLC 0.4 0.916667
37 CE6 0.4 0.916667
38 MAN MAN BMA BMA BMA BMA 0.4 0.916667
39 CTR 0.4 0.916667
40 BGC GLC GLC GLC GLC 0.4 0.916667
41 CE5 0.4 0.916667
42 CTT 0.4 0.916667
43 DXI 0.4 0.916667
44 BGC BGC BGC BGC BGC BGC 0.4 0.916667
45 MAN BMA BMA BMA BMA 0.4 0.916667
46 GLC GAL GAL 0.4 0.916667
47 GLC BGC GLC 0.4 0.916667
48 GLC BGC BGC BGC BGC 0.4 0.916667
49 BMA BMA BMA BMA BMA BMA 0.4 0.916667
50 GLC GLC BGC 0.4 0.916667
51 MTT 0.4 0.916667
52 BMA BMA BMA BMA BMA 0.4 0.916667
53 CEX 0.4 0.916667
54 BGC GLC GLC GLC GLC GLC GLC 0.4 0.916667
55 B4G 0.4 0.916667
56 GAL GAL GAL 0.4 0.916667
57 GLC GLC GLC GLC GLC GLC GLC 0.4 0.916667
58 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.916667
59 MT7 0.4 0.916667
60 GLC GLC BGC GLC GLC GLC GLC 0.4 0.916667
61 BMA BMA BMA 0.4 0.916667
62 BGC GLC GLC GLC 0.4 0.916667
63 GLC GLC GLC GLC GLC 0.4 0.916667
64 MLR 0.4 0.916667
65 CE8 0.4 0.916667
66 BMA MAN BMA 0.4 0.916667
67 MAN BMA BMA 0.4 0.916667
68 CEY 0.4 0.916667
69 GLC BGC BGC 0.4 0.916667
70 GLC GLC GLC GLC GLC GLC GLC GLC 0.4 0.916667
71 CT3 0.4 0.916667
72 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.4 0.916667
Similar Binding Sites (Proteins are less than 50% similar to leader)
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