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 C:1;
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 311 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 266 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 218 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: 125
No: Ligand ECFP6 Tc MDL keys Tc
1 XYS BGC BGC XYS BGC XYS BGC 1 1
2 BGC BGC XYS BGC XYS BGC XYS 1 1
3 BGC BGC BGC XYS BGC XYS XYS 1 1
4 XYS BGC BGC XYS BGC BGC XYS 1 1
5 GLC BGC BGC XYS BGC XYS XYS 1 1
6 BGC BGC XYS BGC 0.898551 1
7 BGC BGC BGC XYS BGC BGC 0.875 1
8 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.875 1
9 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.875 1
10 GAL XYS XYS BGC BGC XYS BGC BGC 0.848101 1
11 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.848101 1
12 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.848101 1
13 GLC BGC BGC XYS BGC XYS XYS GAL 0.848101 1
14 XYS GAL GLC BGC BGC XYS BGC XYS 0.848101 1
15 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.848101 1
16 XYS BGC GAL BGC BGC BGC XYS GAL XYS 0.848101 1
17 GAL BGC BGC BGC XYS XYS 0.848101 1
18 GAL XYS BGC BGC XYS XYS BGC GAL BGC 0.848101 1
19 XYS BGC BGC XYS BGC XYS BGC GAL XYS BGC BGC 0.82716 1
20 BGC BGC XYS BGC XYS XYS GAL 0.8 1
21 GAL BGC BGC BGC XYS BGC XYS 0.797468 1
22 BGC BGC BGC XYS BGC XYS GAL 0.797468 1
23 BGC BGC XYS XYS GAL 0.75 1
24 NBG BGC BGC XYS BGC XYS XYS 0.710843 0.744681
25 BGC BGC XYS BGC XYS GAL 0.710843 0.972222
26 BGC BGC BGC XYS GAL 0.708861 1
27 GLC GLC GLC BGC 0.631579 0.942857
28 BMA BMA GLA BMA BMA 0.623377 0.942857
29 BMA BMA BMA GLA BMA 0.623377 0.942857
30 GAL BGC BGC XYS 0.6125 1
31 BMA BMA MAN GLA GLA 0.592105 0.942857
32 GLO BGC BGC XYS BGC XYS XYS 0.585106 0.972222
33 BGC BGC BGC 0.541667 0.942857
34 BMA BMA BMA BMA BMA BMA 0.541667 0.942857
35 GLC GAL GAL 0.541667 0.942857
36 DXI 0.541667 0.942857
37 BGC BGC BGC BGC 0.541667 0.942857
38 CTT 0.541667 0.942857
39 BGC GLC GLC 0.541667 0.942857
40 MAN BMA BMA BMA BMA 0.541667 0.942857
41 BGC GLC GLC GLC GLC 0.541667 0.942857
42 GLC BGC GLC 0.541667 0.942857
43 MTT 0.541667 0.942857
44 GLC GLC GLC GLC GLC 0.541667 0.942857
45 MAN BMA BMA BMA BMA BMA 0.541667 0.942857
46 B4G 0.541667 0.942857
47 MAN MAN BMA BMA BMA BMA 0.541667 0.942857
48 CE8 0.541667 0.942857
49 GLA GAL BGC 0.541667 0.942857
50 BGC BGC BGC GLC 0.541667 0.942857
51 MAN BMA BMA 0.541667 0.942857
52 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.541667 0.942857
53 GLC BGC BGC BGC 0.541667 0.942857
54 MLR 0.541667 0.942857
55 BMA BMA BMA 0.541667 0.942857
56 GLC BGC BGC BGC BGC BGC 0.541667 0.942857
57 CE6 0.541667 0.942857
58 BMA MAN BMA 0.541667 0.942857
59 BGC BGC GLC 0.541667 0.942857
60 BGC GLC GLC GLC 0.541667 0.942857
61 GLC BGC BGC 0.541667 0.942857
62 CEY 0.541667 0.942857
63 CE5 0.541667 0.942857
64 GLA GAL GLC 0.541667 0.942857
65 CEX 0.541667 0.942857
66 GAL GAL GAL 0.541667 0.942857
67 GLC BGC BGC BGC BGC 0.541667 0.942857
68 CT3 0.541667 0.942857
69 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.541667 0.942857
70 BGC GLC GLC GLC GLC GLC GLC 0.541667 0.942857
71 MT7 0.541667 0.942857
72 CTR 0.541667 0.942857
73 BMA BMA BMA BMA BMA 0.541667 0.942857
74 XYT 0.532468 0.733333
75 BGC GAL 0.528571 0.942857
76 LAT 0.528571 0.942857
77 B2G 0.528571 0.942857
78 BMA GAL 0.528571 0.942857
79 MAB 0.528571 0.942857
80 GLC GAL 0.528571 0.942857
81 CBK 0.528571 0.942857
82 CBI 0.528571 0.942857
83 BGC BMA 0.528571 0.942857
84 N9S 0.528571 0.942857
85 MAL 0.528571 0.942857
86 GAL BGC 0.528571 0.942857
87 LBT 0.528571 0.942857
88 BMA BMA 0.528571 0.942857
89 BGC BGC BGC BGC BGC BGC BGC BGC 0.481481 0.942857
90 GLA GAL GAL 0.468354 0.942857
91 BGC BGC 0.447368 0.916667
92 BMA BMA BMA BMA 0.445783 0.888889
93 ABD 0.431579 0.717391
94 GAL BGC NAG NAG GAL GAL 0.427184 0.66
95 NGA GAL BGC 0.426966 0.702128
96 MAN BMA MAN 0.421687 0.942857
97 MAN MAN MAN 0.421687 0.942857
98 GLC GLC XYP 0.418605 0.942857
99 DEL 0.417722 0.971429
100 LAT GLA 0.413333 0.942857
101 G2F BGC BGC BGC BGC BGC 0.411765 0.825
102 GLC GLC GLC GLC GLC BGC 0.410256 0.942857
103 BMA MAN MAN 0.410256 0.942857
104 GLC GLC GLC GLC BGC 0.410256 0.942857
105 5GO 0.409639 0.634615
106 SGA BGC 0.404762 0.634615
107 GAL BGC NAG GAL 0.404255 0.702128
108 GLA BMA 0.402597 0.942857
109 GLA GLC 0.402597 0.942857
110 BGC GLA 0.402597 0.942857
111 GAL GLC 0.402597 0.942857
112 GLA BGC 0.402597 0.942857
113 MAN BMA 0.402597 0.942857
114 MAN MAN 0.402597 0.942857
115 BMA GLA 0.402597 0.942857
116 LAK 0.402597 0.942857
117 GAL GAL 0.402597 0.942857
118 MLB 0.402597 0.942857
119 LAT FUC 0.402299 0.916667
120 FUC GAL GLC BGC 0.402299 0.916667
121 BGC GAL FUC 0.402299 0.916667
122 FUC GAL GLC 0.402299 0.916667
123 GLC GAL FUC 0.402299 0.916667
124 8B7 0.402299 0.916667
125 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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