Receptor
PDB id Resolution Class Description Source Keywords
5OYE 1.9 Å EC: 3.2.1.151 GH5 ENDO-XYLOGLUCANASE FROM CELLVIBRIO JAPONICUS CELLVIBRIO JAPONICUS ENDO-XYLOGLUCANASE HYDROLASE
Ref.: IN VITRO AND IN VIVO CHARACTERIZATION OF THREECELLV JAPONICUSGLYCOSIDE HYDROLASE FAMILY 5 MEMBERS REVEA XYLOGLUCAN BACKBONE-CLEAVING FUNCTIONS. BIOTECHNOL BIOFUELS V. 11 45 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:503;
A:501;
A:502;
A:503;
B:502;
B:501;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
CL A:511;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
BGC BGC BGC XYS BGC XYS D:1;
 Valid;
 none;
 submit data
930.809 n/a O(CC1...
BGC BGC BGC XYS BGC XYS GAL C:1;
 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
5OYE 1.9 Å EC: 3.2.1.151 GH5 ENDO-XYLOGLUCANASE FROM CELLVIBRIO JAPONICUS CELLVIBRIO JAPONICUS ENDO-XYLOGLUCANASE HYDROLASE
Ref.: IN VITRO AND IN VIVO CHARACTERIZATION OF THREECELLV JAPONICUSGLYCOSIDE HYDROLASE FAMILY 5 MEMBERS REVEA XYLOGLUCAN BACKBONE-CLEAVING FUNCTIONS. BIOTECHNOL BIOFUELS V. 11 45 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5OYE - BGC BGC BGC XYS BGC XYS n/a n/a
2 6HA9 - NFG BGC BGC XYS BGC XYS n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5OYE - BGC BGC BGC XYS BGC XYS n/a n/a
2 6HA9 - NFG 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 223 families.
1 4YHG - BGC BGC BGC n/a n/a
2 4W8B - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
3 2JEQ - BGC BGC BGC XYS BGC XYS GAL n/a n/a
4 5OYE - BGC BGC BGC XYS BGC XYS n/a n/a
5 6HA9 - NFG BGC BGC XYS BGC XYS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BGC BGC BGC XYS BGC XYS; Similar ligands found: 88
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC BGC XYS BGC XYS 1 1
2 BGC BGC BGC BGC BGC XYS 0.970588 1
3 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.970588 1
4 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.970588 1
5 BGC BGC BGC XYS BGC XYS XYS 0.9 1
6 BGC BGC BGC XYS BGC XYS GAL 0.88 1
7 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.835443 1
8 BGC BGC BGC XYS BGC XYS XYS GAL 0.835443 1
9 BGC BGC BGC XYS 0.805556 1
10 BGC BGC XYS BGC XYS XYS GAL 0.7875 1
11 BGC BGC BGC XYS XYS GAL GAL 0.759494 1
12 BGC BGC XYS XYS GAL 0.7375 1
13 GLC GLC XYS XYS 0.732394 0.971429
14 BGC BGC GLC BGC XYS BGC XYS XYS 0.710526 0.972222
15 BGC BGC BGC XYS XYS GAL 0.698795 0.972222
16 BMA BMA BMA BMA GLA 0.69863 0.942857
17 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.69863 0.942857
18 BGC BGC XYS GAL 0.684211 1
19 NBG BGC BGC XYS BGC XYS XYS 0.639535 0.744681
20 GLC GLC GLC GLC BGC GLC GLC 0.617647 0.942857
21 MAN BMA BMA BMA BMA BMA BMA 0.617647 0.942857
22 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.617647 0.942857
23 BGC GLC GLC GLC 0.597403 0.942857
24 GLC GLC GLC GLC GLC 0.597403 0.942857
25 BGC GLC GLC 0.586667 0.942857
26 MAN BMA BMA 0.567568 0.944444
27 BGC BGC BGC BGC BGC BGC BGC BGC 0.545455 0.942857
28 BGC GAL GLA 0.533333 0.942857
29 GLO BGC BGC XYS BGC XYS XYS 0.525773 0.972222
30 GLC GLC GLC 0.506173 0.944444
31 BMA BMA BMA BMA GLA BMA GLA 0.483516 0.868421
32 BGC GLA GAL 0.478873 0.942857
33 BGC GAL NGA GAL 0.477273 0.702128
34 G2F BGC BGC BGC BGC BGC 0.469136 0.825
35 G2F SHG BGC BGC 0.468354 0.846154
36 G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D 0.4625 0.971429
37 BMA MAN MAN 0.4625 0.942857
38 NAG GAL BGC GAL 0.455556 0.702128
39 BMA BMA BMA BMA 0.451219 0.888889
40 MAN MAN BMA 0.451219 0.944444
41 BGC GAL NGA 0.448276 0.702128
42 BGC GAL GLA NGA GAL 0.446809 0.702128
43 BGC GLC AGL GLC GLC GLC 0.446809 0.6875
44 BGC GAL NAG NAG GAL GAL 0.445545 0.66
45 GLC GLC AC1 0.444444 0.711111
46 MGL GAL 0.44 0.891892
47 GLC GLC FRU 0.438202 0.871795
48 GLC EDO GLC 0.435897 0.944444
49 BGC GAL NAG GAL 0.434783 0.702128
50 GAL SO4 GAL 0.433735 0.634615
51 BGC GAL FUC GLA 0.433333 0.916667
52 GAL GLA 0.432432 0.942857
53 BGC 5VQ GAL GLA 0.432099 0.846154
54 XYS GLC GLC 0.430233 0.916667
55 GLC GLC GLC G6D ACI GLC GLC 0.43 0.73913
56 FUC GAL 0.428571 0.888889
57 ARE 0.427184 0.702128
58 AAO 0.427184 0.702128
59 G3I 0.423529 0.813953
60 BGC GAL FUC 0.423529 0.916667
61 G2I 0.423529 0.813953
62 BGC OXZ BGC 0.423529 0.729167
63 GLC GAL BGC FUC 0.423529 0.916667
64 BGC Z9D 0.423077 0.971429
65 GLC GLC AGL HMC 0.421569 0.6875
66 BGC GAL GLA NGA 0.421053 0.702128
67 BGC BGC BGC BGC 0.420455 0.942857
68 GLC BGC G6D ACI 0.418367 0.73913
69 GLC NBU GAL GLA 0.416667 0.804878
70 GLC GLC G6D GLC ACI GLC 0.413462 0.673469
71 GLC GLC AC1 GLC GLC GLC 0.413462 0.673469
72 GLC GLC AGL HMC GLC 0.413462 0.673469
73 MAN MAN MAN 0.411111 0.916667
74 BGC SGA 0.409639 0.634615
75 LAG 0.409091 0.607143
76 BGC XGP 0.407407 0.75
77 BGC BGC BGC BGC BGC BGC BGC 0.405063 0.942857
78 BGC BGC BGC 0.405063 0.942857
79 BGC BGC BGC BGC BGC 0.405063 0.942857
80 BGC BGC BGC BGC BGC BGC 0.405063 0.942857
81 GLC BGC BGC BGC 0.405063 0.942857
82 GPM GLC 0.402439 0.772727
83 SOR GLC GLC 0.402299 0.971429
84 QV4 0.401961 0.702128
85 GLC GLC G6D ACI 0.401961 0.673469
86 BGC FUC GAL 0.4 0.916667
87 NAG BMA 0.4 0.66
88 GLC BGC FUC GAL 0.4 0.916667
Ligand no: 2; Ligand: BGC BGC BGC XYS BGC XYS GAL; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC BGC XYS BGC XYS GAL 1 1
2 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.949367 1
3 BGC BGC BGC XYS BGC XYS XYS GAL 0.949367 1
4 BGC BGC XYS BGC XYS XYS GAL 0.9 1
5 BGC BGC BGC XYS BGC XYS 0.88 1
6 BGC BGC BGC XYS XYS GAL GAL 0.873418 1
7 BGC BGC BGC BGC BGC XYS 0.857143 1
8 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.857143 1
9 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.857143 1
10 BGC BGC XYS XYS GAL 0.85 1
11 BGC BGC BGC XYS XYS GAL 0.807229 0.972222
12 BGC BGC XYS GAL 0.802632 1
13 BGC BGC BGC XYS BGC XYS XYS 0.797468 1
14 BGC BGC BGC XYS 0.716049 1
15 BGC BGC GLC BGC XYS BGC XYS XYS 0.674699 0.972222
16 GLC GLC XYS XYS 0.65 0.971429
17 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.621951 0.942857
18 BMA BMA BMA BMA GLA 0.621951 0.942857
19 NBG BGC BGC XYS BGC XYS XYS 0.578947 0.744681
20 GLC GLC GLC GLC BGC GLC GLC 0.545455 0.942857
21 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.545455 0.942857
22 MAN BMA BMA BMA BMA BMA BMA 0.545455 0.942857
23 MAN BMA BMA 0.54321 0.944444
24 BGC GLC GLC GLC 0.534884 0.942857
25 GLC GLC GLC GLC GLC 0.534884 0.942857
26 BGC GLC GLC 0.52381 0.942857
27 GLC GLC GLC 0.488636 0.944444
28 BGC BGC BGC BGC BGC BGC BGC BGC 0.488372 0.942857
29 GLO BGC BGC XYS BGC XYS XYS 0.481132 0.972222
30 BGC GAL GLA 0.47619 0.942857
31 BMA BMA BMA BMA GLA BMA GLA 0.44 0.868421
32 BGC GAL NGA GAL 0.43299 0.702128
33 GLC GAL BGC FUC 0.428571 0.916667
34 BGC GAL FUC 0.428571 0.916667
35 BGC GLA GAL 0.425 0.942857
36 G2F BGC BGC BGC BGC BGC 0.422222 0.825
37 BGC GLC AGL GLC GLC GLC 0.421569 0.6875
38 G2F SHG BGC BGC 0.420455 0.846154
39 G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D 0.41573 0.971429
40 GLC GLC AC1 0.41573 0.711111
41 BMA MAN MAN 0.41573 0.942857
42 NAG GAL BGC GAL 0.414141 0.702128
43 GLC GLC AGL HMC 0.412844 0.6875
44 BGC GAL NAG NAG GAL GAL 0.409091 0.66
45 XYS XYS AHR 0.408602 0.918919
46 BGC GAL FUC GLA 0.408163 0.916667
47 BGC GAL GLA NGA GAL 0.407767 0.702128
48 GLC GLC GLC G6D ACI GLC GLC 0.407407 0.73913
49 BMA BMA BMA BMA 0.406593 0.888889
50 MAN MAN BMA 0.406593 0.944444
51 BGC GAL NGA 0.40625 0.702128
52 AAO 0.405405 0.702128
53 ARE 0.405405 0.702128
54 XYS GLC GLC 0.404255 0.916667
55 FUC GAL 0.4 0.888889
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC BGC BGC XYS BGC XYS; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: BGC BGC BGC XYS BGC XYS GAL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5OYE; Ligand: BGC BGC BGC XYS BGC XYS; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5oye.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 4YZT BGC BGC BGC BGC 40.404
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