Receptor
PDB id Resolution Class Description Source Keywords
5D9M 1.9 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF PBGH5A, A GLYCOSIDE HYDROLASE FAMILY 5 FROM PREVOTELLA BRYANTII B14, E280A MUTANT IN COMPLEX WITH X YLOGLUCAN TETRADECASACCHARIDE XXXGXXXG PREVOTELLA BRYANTII ENDO-BETA-GLUCANASE/ENDO-XYLOGLUCANASE GLYCOSYL HYDROLASE FMIXED ALPHA-BETA TIM BARREL HYDROLASE
Ref.: STRUCTURE-FUNCTION ANALYSIS OF A MIXED-LINKAGE BETA-GLUCANASE/XYLOGLUCANASE FROM KEY RUMINAL BACTE PREVOTELLA BRYANTII B14. J.BIOL.CHEM. 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC BGC BGC XYS BGC XYS XYS A:401;
Valid;
none;
submit data
1062.92 n/a O(CC1...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5D9O 1.55 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF PBGH5A, A GLYCOSIDE HYDROLASE FAMILY 5 FROM PREVOTELLA BRYANTII B14, E280A MUTANT IN COMPLEX WITH C ELLOTETRAOSE PREVOTELLA BRYANTII ENDO-BETA-GLUCANASE/ENDO-XYLOGLUCANASE GLYCOSYL HYDROLASE FMIXED ALPHA-BETA TIM BARREL HYDROLASE
Ref.: STRUCTURE-FUNCTION ANALYSIS OF A MIXED-LINKAGE BETA-GLUCANASE/XYLOGLUCANASE FROM KEY RUMINAL BACTE PREVOTELLA BRYANTII B14. J.BIOL.CHEM. 2015
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 5D9M - GLC BGC BGC XYS BGC XYS XYS n/a n/a
2 5D9N - BGC BGC BGC XYS BGC XYS XYS n/a n/a
3 5D9P - NBG BGC BGC XYS BGC XYS XYS n/a n/a
4 5D9O - BGC BGC BGC BGC n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5D9M - GLC BGC BGC XYS BGC XYS XYS n/a n/a
2 5D9N - BGC BGC BGC XYS BGC XYS XYS n/a n/a
3 5D9P - NBG BGC BGC XYS BGC XYS XYS n/a n/a
4 5D9O - BGC BGC BGC BGC n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 5D9M - GLC BGC BGC XYS BGC XYS XYS n/a n/a
2 5D9N - BGC BGC BGC XYS BGC XYS XYS n/a n/a
3 5D9P - NBG BGC BGC XYS BGC XYS XYS n/a n/a
4 5D9O - BGC BGC BGC BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC BGC BGC XYS BGC XYS XYS; Similar ligands found: 122
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC BGC BGC XYS BGC XYS XYS 1 1
2 BGC BGC BGC XYS BGC XYS XYS 1 1
3 BGC BGC XYS BGC XYS BGC XYS 1 1
4 BGC BGC XYS BGC 0.898551 1
5 BGC BGC BGC XYS BGC BGC 0.875 1
6 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.875 1
7 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.875 1
8 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.848101 1
9 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.848101 1
10 GAL BGC BGC BGC XYS XYS 0.848101 1
11 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.848101 1
12 GLC BGC BGC XYS BGC XYS XYS GAL 0.848101 1
13 GAL BGC BGC BGC XYS BGC XYS 0.797468 1
14 BGC BGC BGC XYS BGC XYS GAL 0.797468 1
15 NBG BGC BGC XYS BGC XYS XYS 0.710843 0.744681
16 BGC BGC XYS BGC XYS GAL 0.710843 0.972222
17 BGC BGC BGC XYS GAL 0.708861 1
18 GLC GLC GLC BGC 0.631579 0.942857
19 BMA BMA GLA BMA BMA 0.623377 0.942857
20 GAL BGC BGC XYS 0.6125 1
21 GLO BGC BGC XYS BGC XYS XYS 0.585106 0.972222
22 GLC GLC GLC GLC GLC 0.541667 0.942857
23 BMA BMA BMA BMA BMA 0.541667 0.942857
24 GLC BGC BGC BGC 0.541667 0.942857
25 BGC BGC BGC BGC BGC 0.541667 0.942857
26 CEY 0.541667 0.942857
27 CEX 0.541667 0.942857
28 GLC BGC BGC BGC BGC BGC 0.541667 0.942857
29 GLC GAL GAL 0.541667 0.942857
30 MAN BMA BMA BMA BMA 0.541667 0.942857
31 GLC GLC BGC 0.541667 0.942857
32 MAN MAN BMA BMA BMA BMA 0.541667 0.942857
33 BGC GLC GLC 0.541667 0.942857
34 BGC BGC GLC 0.541667 0.942857
35 CT3 0.541667 0.942857
36 BGC BGC BGC 0.541667 0.942857
37 BMA BMA BMA BMA BMA BMA 0.541667 0.942857
38 GLC BGC BGC BGC BGC 0.541667 0.942857
39 MLR 0.541667 0.942857
40 CTT 0.541667 0.942857
41 MAN BMA BMA 0.541667 0.942857
42 BGC BGC BGC GLC 0.541667 0.942857
43 MTT 0.541667 0.942857
44 GAL GAL GAL 0.541667 0.942857
45 CE6 0.541667 0.942857
46 CE8 0.541667 0.942857
47 BGC GLC GLC GLC GLC 0.541667 0.942857
48 GLA GAL GLC 0.541667 0.942857
49 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.541667 0.942857
50 GLA GAL BGC 0.541667 0.942857
51 BGC GLC GLC GLC 0.541667 0.942857
52 BMA BMA BMA 0.541667 0.942857
53 CTR 0.541667 0.942857
54 BGC BGC BGC BGC BGC BGC 0.541667 0.942857
55 MAN BMA BMA BMA BMA BMA 0.541667 0.942857
56 BGC GLC GLC GLC GLC GLC GLC 0.541667 0.942857
57 CE5 0.541667 0.942857
58 GLC BGC BGC 0.541667 0.942857
59 MT7 0.541667 0.942857
60 GLC BGC GLC 0.541667 0.942857
61 BGC BGC BGC BGC 0.541667 0.942857
62 B4G 0.541667 0.942857
63 BMA MAN BMA 0.541667 0.942857
64 DXI 0.541667 0.942857
65 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.541667 0.942857
66 XYT 0.532468 0.733333
67 B2G 0.528571 0.942857
68 CBK 0.528571 0.942857
69 BMA GAL 0.528571 0.942857
70 N9S 0.528571 0.942857
71 CBI 0.528571 0.942857
72 LAT 0.528571 0.942857
73 MAB 0.528571 0.942857
74 LBT 0.528571 0.942857
75 GAL BGC 0.528571 0.942857
76 BGC GAL 0.528571 0.942857
77 GLA GLA 0.528571 0.942857
78 MAL 0.528571 0.942857
79 GLC GAL 0.528571 0.942857
80 BGC BMA 0.528571 0.942857
81 GLA GAL 0.528571 0.942857
82 BGC BGC BGC BGC BGC BGC BGC BGC 0.481481 0.942857
83 GLA GAL GAL 0.468354 0.942857
84 BMA BMA 0.447368 0.916667
85 BGC BGC 0.447368 0.916667
86 BMA BMA BMA BMA 0.445783 0.888889
87 ABD 0.431579 0.717391
88 NGA GAL BGC 0.426966 0.702128
89 MAN BMA MAN 0.421687 0.942857
90 GLC GLC XYP 0.418605 0.942857
91 DEL 0.417722 0.971429
92 LAT GLA 0.413333 0.942857
93 G2F BGC BGC BGC BGC BGC 0.411765 0.825
94 BMA MAN MAN 0.410256 0.942857
95 MAN MAN MAN 0.410256 0.942857
96 GLC GLC GLC GLC BGC 0.410256 0.942857
97 GLC GLC GLC 0.410256 0.942857
98 GLC GLC GLC GLC GLC BGC 0.410256 0.942857
99 5GO 0.409639 0.634615
100 SGA BGC 0.404762 0.634615
101 GAL BGC NAG GAL 0.404255 0.702128
102 GLC GLC 0.402597 0.942857
103 MAN BMA 0.402597 0.942857
104 MAN MAN 0.402597 0.942857
105 BGC GLA 0.402597 0.942857
106 GAL GLC 0.402597 0.942857
107 GAL GAL 0.402597 0.942857
108 BGC GLC 0.402597 0.942857
109 GLA GLC 0.402597 0.942857
110 BMA MAN 0.402597 0.942857
111 GLC BGC 0.402597 0.942857
112 GLA BMA 0.402597 0.942857
113 GLA BGC 0.402597 0.942857
114 BMA GLA 0.402597 0.942857
115 LAK 0.402597 0.942857
116 MLB 0.402597 0.942857
117 LAT FUC 0.402299 0.916667
118 BGC GAL FUC 0.402299 0.916667
119 8B7 0.402299 0.916667
120 FUC GAL GLC 0.402299 0.916667
121 GLC GAL FUC 0.402299 0.916667
122 GLA EGA 0.4 0.891892
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5D9O; Ligand: BGC BGC BGC 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: 5d9o.bio2) has 37 residues
No: Leader PDB Ligand Sequence Similarity
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