Receptor
PDB id Resolution Class Description Source Keywords
4W8B 1.15 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF XEG5B, A GH5 XYLOGLUCAN-SPECIFIC BETA-1 GLUCANASE FROM RUMINAL METAGENOMIC LIBRARY, IN COMPLEX WITH UNCULTURED BACTERIUM GLYCOSIDE HYDROLASE CELL WALL DEGRADING ENZYME GH5 FAMILYHYDROLASE
Ref.: STRUCTURAL BASIS FOR XYLOGLUCAN SPECIFICITY AND ALPHA-D-XYLP(1 6)-D-GLCP RECOGNITION AT THE -1 SUBS WITHIN THE GH5 FAMILY. BIOCHEMISTRY V. 54 1930 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC BGC BGC XYS XYS A614:0;
Valid;
none;
submit data n/a n/a n/a n/a
SO4 A:610;
A:611;
A:609;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
GOL A:612;
A:613;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
GLC BGC BGC XYS BGC XYS XYS GAL A:601;
Valid;
none;
submit data
1225.06 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4W8B 1.15 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF XEG5B, A GH5 XYLOGLUCAN-SPECIFIC BETA-1 GLUCANASE FROM RUMINAL METAGENOMIC LIBRARY, IN COMPLEX WITH UNCULTURED BACTERIUM GLYCOSIDE HYDROLASE CELL WALL DEGRADING ENZYME GH5 FAMILYHYDROLASE
Ref.: STRUCTURAL BASIS FOR XYLOGLUCAN SPECIFICITY AND ALPHA-D-XYLP(1 6)-D-GLCP RECOGNITION AT THE -1 SUBS WITHIN THE GH5 FAMILY. BIOCHEMISTRY V. 54 1930 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 4W8B - GLC BGC BGC XYS BGC XYS XYS 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 250 families.
1 4W8B - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 4YHG - CT3 C18 H32 O16 C([C@@H]1[....
2 4W8B - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
3 2JEQ - GAL BGC BGC BGC XYS BGC XYS n/a n/a
4 5OYE - BGC XYS BGC XYS GAL BGC BGC n/a n/a
5 6HA9 - XYS NFG BGC BGC XYS BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC BGC BGC XYS XYS; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: GLC BGC BGC XYS BGC XYS XYS GAL; Similar ligands found: 98
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC BGC BGC XYS BGC XYS XYS GAL 1 1
2 GAL XYS XYS BGC BGC BGC XYS GAL BGC 1 1
3 BGC BGC XYS BGC GAL XYS BGC XYS GAL 1 1
4 GAL BGC BGC BGC XYS XYS 1 1
5 GLC BGC BGC XYS BGC XYS XYS GAL GAL 1 1
6 GAL BGC BGC BGC XYS BGC XYS 0.949367 1
7 BGC BGC BGC XYS BGC XYS GAL 0.949367 1
8 BGC BGC BGC XYS GAL 0.860759 1
9 BGC BGC XYS BGC XYS GAL 0.855422 0.972222
10 BGC BGC BGC XYS BGC XYS XYS 0.848101 1
11 GLC BGC BGC XYS BGC XYS XYS 0.848101 1
12 BGC BGC XYS BGC XYS BGC XYS 0.848101 1
13 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.814815 1
14 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.814815 1
15 BGC BGC BGC XYS BGC BGC 0.814815 1
16 BGC BGC XYS BGC 0.765432 1
17 GAL BGC BGC XYS 0.7625 1
18 NBG BGC BGC XYS BGC XYS XYS 0.621053 0.744681
19 BMA BMA GLA BMA BMA 0.593023 0.942857
20 GLC GLC GLC BGC 0.581395 0.942857
21 GLO BGC BGC XYS BGC XYS XYS 0.518868 0.972222
22 GLC BGC BGC BGC BGC 0.518519 0.942857
23 CT3 0.518519 0.942857
24 BGC BGC BGC 0.518519 0.942857
25 BGC GLC GLC GLC 0.518519 0.942857
26 MTT 0.518519 0.942857
27 BGC BGC BGC BGC BGC BGC 0.518519 0.942857
28 BGC BGC GLC 0.518519 0.942857
29 MAN BMA BMA BMA BMA BMA 0.518519 0.942857
30 MAN MAN BMA BMA BMA BMA 0.518519 0.942857
31 BGC GLC GLC 0.518519 0.942857
32 CEY 0.518519 0.942857
33 BMA MAN BMA 0.518519 0.942857
34 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.518519 0.942857
35 B4G 0.518519 0.942857
36 GLC BGC BGC 0.518519 0.942857
37 MT7 0.518519 0.942857
38 BGC BGC BGC BGC BGC 0.518519 0.942857
39 GLA GAL BGC 0.518519 0.942857
40 CTT 0.518519 0.942857
41 BMA BMA BMA BMA BMA BMA 0.518519 0.942857
42 BMA BMA BMA BMA BMA 0.518519 0.942857
43 GLC GLC BGC 0.518519 0.942857
44 GLA GAL GLC 0.518519 0.942857
45 CE6 0.518519 0.942857
46 MAN BMA BMA 0.518519 0.942857
47 CEX 0.518519 0.942857
48 GLC GLC GLC GLC GLC 0.518519 0.942857
49 DXI 0.518519 0.942857
50 GLC BGC GLC 0.518519 0.942857
51 BGC GLC GLC GLC GLC 0.518519 0.942857
52 CE8 0.518519 0.942857
53 CE5 0.518519 0.942857
54 BGC BGC BGC BGC 0.518519 0.942857
55 GAL GAL GAL 0.518519 0.942857
56 BGC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
57 GLC GAL GAL 0.518519 0.942857
58 BMA BMA BMA 0.518519 0.942857
59 BGC BGC BGC GLC 0.518519 0.942857
60 CTR 0.518519 0.942857
61 MAN BMA BMA BMA BMA 0.518519 0.942857
62 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
63 GLC BGC BGC BGC 0.518519 0.942857
64 MLR 0.518519 0.942857
65 GLC BGC BGC BGC BGC BGC 0.518519 0.942857
66 GLA GAL 0.506329 0.942857
67 CBI 0.506329 0.942857
68 N9S 0.506329 0.942857
69 LAT 0.506329 0.942857
70 CBK 0.506329 0.942857
71 MAB 0.506329 0.942857
72 BGC BMA 0.506329 0.942857
73 GLC GAL 0.506329 0.942857
74 B2G 0.506329 0.942857
75 GAL BGC 0.506329 0.942857
76 GLA GLA 0.506329 0.942857
77 BMA GAL 0.506329 0.942857
78 BGC GAL 0.506329 0.942857
79 MAL 0.506329 0.942857
80 LBT 0.506329 0.942857
81 BMA BMA 0.46988 0.916667
82 BGC BGC 0.46988 0.916667
83 BGC BGC BGC BGC BGC BGC BGC BGC 0.466667 0.942857
84 XYT 0.460674 0.733333
85 GLA GAL GAL 0.454545 0.942857
86 ABD 0.436893 0.717391
87 BMA MAN MAN MAN MAN 0.418367 0.942857
88 MAN MAN MAN MAN MAN MAN MAN 0.413462 0.942857
89 MAN BMA MAN 0.413043 0.942857
90 8B7 0.410526 0.916667
91 FUC GAL GLC 0.410526 0.916667
92 LAT FUC 0.410526 0.916667
93 GLC GLC XYP 0.410526 0.942857
94 GLC GAL FUC 0.410526 0.916667
95 BGC GAL FUC 0.410526 0.916667
96 MAN MAN MAN BMA MAN 0.405941 0.942857
97 LAT GLA 0.404762 0.942857
98 G2F BGC BGC BGC BGC BGC 0.404255 0.825
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4W8B; Ligand: GLC BGC BGC XYS BGC XYS XYS GAL; 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: 4w8b.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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