Receptor
PDB id Resolution Class Description Source Keywords
2JEQ 1.94 Å EC: 3.2.1.151 FAMILY 5 XYLOGLUCANASE FROM PAENIBACILLUS PABULI IN COMPLEX WITH LIGAND PAENIBACILLUS PABULI FAMILY 5 XYLOGLUCANASE PLANT CELL WALL HYDROLASE
Ref.: CHARACTERIZATION AND THREE-DIMENSIONAL STRUCTURES OF TWO DISTINCT BACTERIAL XYLOGLUCANASES FROM FAMILIES GH5 AND GH12. J.BIOL.CHEM. V. 282 19177 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL BGC BGC BGC XYS BGC XYS A:1401;
Valid;
none;
submit data
1092.95 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2JEQ 1.94 Å EC: 3.2.1.151 FAMILY 5 XYLOGLUCANASE FROM PAENIBACILLUS PABULI IN COMPLEX WITH LIGAND PAENIBACILLUS PABULI FAMILY 5 XYLOGLUCANASE PLANT CELL WALL HYDROLASE
Ref.: CHARACTERIZATION AND THREE-DIMENSIONAL STRUCTURES OF TWO DISTINCT BACTERIAL XYLOGLUCANASES FROM FAMILIES GH5 AND GH12. J.BIOL.CHEM. V. 282 19177 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2JEQ - GAL BGC BGC BGC XYS BGC XYS 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 8 families.
1 2JEQ - GAL BGC BGC BGC XYS BGC XYS 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: GAL BGC BGC BGC XYS BGC XYS; Similar ligands found: 108
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL BGC BGC BGC XYS BGC XYS 1 1
2 BGC BGC BGC XYS BGC XYS GAL 1 1
3 GLC BGC BGC XYS BGC XYS XYS GAL 0.949367 1
4 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.949367 1
5 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.949367 1
6 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.949367 1
7 GAL BGC BGC BGC XYS XYS 0.949367 1
8 BGC BGC BGC XYS GAL 0.906667 1
9 BGC BGC BGC XYS BGC BGC 0.857143 1
10 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.857143 1
11 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.857143 1
12 BGC BGC XYS BGC XYS GAL 0.807229 0.972222
13 GAL BGC BGC XYS 0.802632 1
14 BGC BGC BGC XYS BGC XYS XYS 0.797468 1
15 GLC BGC BGC XYS BGC XYS XYS 0.797468 1
16 BGC BGC XYS BGC XYS BGC XYS 0.797468 1
17 BGC BGC XYS BGC 0.716049 1
18 BMA BMA GLA BMA BMA 0.621951 0.942857
19 NBG BGC BGC XYS BGC XYS XYS 0.578947 0.744681
20 BGC BGC GLC 0.545455 0.942857
21 MAN MAN BMA BMA BMA BMA 0.545455 0.942857
22 MAN BMA BMA 0.545455 0.942857
23 GLC BGC BGC BGC 0.545455 0.942857
24 GLC BGC BGC BGC BGC 0.545455 0.942857
25 MAN BMA BMA BMA BMA 0.545455 0.942857
26 BGC BGC BGC 0.545455 0.942857
27 BGC BGC BGC GLC 0.545455 0.942857
28 MLR 0.545455 0.942857
29 GLC BGC BGC BGC BGC BGC 0.545455 0.942857
30 BGC GLC GLC GLC 0.545455 0.942857
31 GLA GAL BGC 0.545455 0.942857
32 CT3 0.545455 0.942857
33 GLA GAL GLC 0.545455 0.942857
34 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.545455 0.942857
35 CEY 0.545455 0.942857
36 MAN BMA BMA BMA BMA BMA 0.545455 0.942857
37 BMA MAN BMA 0.545455 0.942857
38 B4G 0.545455 0.942857
39 GLC BGC BGC 0.545455 0.942857
40 MT7 0.545455 0.942857
41 BGC BGC BGC BGC BGC 0.545455 0.942857
42 GLC GLC BGC 0.545455 0.942857
43 BMA BMA BMA BMA BMA BMA 0.545455 0.942857
44 CTT 0.545455 0.942857
45 BGC GLC GLC 0.545455 0.942857
46 BGC BGC BGC BGC BGC BGC 0.545455 0.942857
47 BMA BMA BMA BMA BMA 0.545455 0.942857
48 GAL GAL GAL 0.545455 0.942857
49 GLC BGC GLC 0.545455 0.942857
50 CE6 0.545455 0.942857
51 CE5 0.545455 0.942857
52 BGC BGC BGC BGC 0.545455 0.942857
53 CE8 0.545455 0.942857
54 BGC GLC GLC GLC GLC 0.545455 0.942857
55 BGC GLC GLC GLC GLC GLC GLC 0.545455 0.942857
56 DXI 0.545455 0.942857
57 GLC GLC GLC GLC GLC 0.545455 0.942857
58 BMA BMA BMA 0.545455 0.942857
59 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.545455 0.942857
60 CTR 0.545455 0.942857
61 GLC GAL GAL 0.545455 0.942857
62 MTT 0.545455 0.942857
63 CEX 0.545455 0.942857
64 GLC GLC GLC BGC 0.534884 0.942857
65 BMA GAL 0.533333 0.942857
66 B2G 0.533333 0.942857
67 GLA GAL 0.533333 0.942857
68 LBT 0.533333 0.942857
69 MAB 0.533333 0.942857
70 N9S 0.533333 0.942857
71 BGC BMA 0.533333 0.942857
72 CBI 0.533333 0.942857
73 MAL 0.533333 0.942857
74 CBK 0.533333 0.942857
75 LAT 0.533333 0.942857
76 GAL BGC 0.533333 0.942857
77 GLA GLA 0.533333 0.942857
78 GLC GAL 0.533333 0.942857
79 BGC GAL 0.533333 0.942857
80 BMA BMA 0.493671 0.916667
81 BGC BGC 0.493671 0.916667
82 BGC BGC BGC BGC BGC BGC BGC BGC 0.488372 0.942857
83 GLO BGC BGC XYS BGC XYS XYS 0.481132 0.972222
84 GLA GAL GAL 0.47619 0.942857
85 ABD 0.454545 0.717391
86 XYT 0.448276 0.733333
87 GLC GLC XYP 0.428571 0.942857
88 GLC GAL FUC 0.428571 0.916667
89 8B7 0.428571 0.916667
90 FUC GAL GLC 0.428571 0.916667
91 BGC GAL FUC 0.428571 0.916667
92 LAT FUC 0.428571 0.916667
93 LAT GLA 0.425 0.942857
94 G2F BGC BGC BGC BGC BGC 0.422222 0.825
95 BMA MAN MAN MAN MAN 0.421053 0.942857
96 MAN BMA MAN 0.41573 0.942857
97 GAL BGC NAG GAL 0.414141 0.702128
98 GLA EGA 0.411765 0.891892
99 AHR XYS XYS 0.408602 0.918919
100 BGC GLA GAL FUC 0.408163 0.916667
101 GAL NGA GLA BGC GAL 0.407767 0.702128
102 GLC GLC G6D ACI GLC GLC GLC 0.407407 0.73913
103 BMA BMA BMA BMA 0.406593 0.888889
104 NGA GAL BGC 0.40625 0.702128
105 ARE 0.405405 0.702128
106 AAO 0.405405 0.702128
107 GLC GLC XYS 0.404255 0.916667
108 GAL FUC 0.4 0.888889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2JEQ; Ligand: GAL BGC BGC BGC XYS BGC XYS; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2jeq.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4YZT BGC BGC BGC BGC 45.3165
APoc FAQ
Feedback