Receptor
PDB id Resolution Class Description Source Keywords
5FKS 1.99 Å EC: 3.2.1.- UNRAVELING THE FIRST STEP OF XYLOGLUCAN DEGRADATION BY THE S SAPROPHYTE CELLVIBRIO JAPONICUS THROUGH THE FUNCTIONAL AND S TRUCTURAL CHARACTERIZATION OF A POTENT GH74 ENDO-XYLOGLUCA CELLVIBRIO JAPONICUS HYDROLASE CELLVIBRIO JAPONICUS XYLOGLUCAN SACCHARIFICATIONGLYCOSIDE HYDROLASE CARBOHYDRATE BINDING MODULE GREEN FLUPROTEIN
Ref.: FUNCTIONAL AND STRUCTURAL CHARACTERIZATION OF A POT ENDO-XYLOGLUCANASE FROM THE SOIL SAPROPHYTE CELLVIB JAPONICUS UNRAVELS THE FIRST STEP OF XYLOGLUCAN DEG FEBS J. V. 283 1701 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC BGC XYS BGC GAL XYS BGC XYS GAL A:1768;
Valid;
none;
submit data
1387.21 n/a O(C1O...
K A:1785;
A:1784;
Part of Protein;
Part of Protein;
none;
none;
submit data
39.098 K [K+]
BR A:1767;
Invalid;
none;
submit data
79.904 Br [Br-]
BGC BGC BGC XYS BGC XYS GAL A:1671;
Valid;
none;
submit data
1092.95 n/a O(C1O...
EDO A:1783;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FKS 1.99 Å EC: 3.2.1.- UNRAVELING THE FIRST STEP OF XYLOGLUCAN DEGRADATION BY THE S SAPROPHYTE CELLVIBRIO JAPONICUS THROUGH THE FUNCTIONAL AND S TRUCTURAL CHARACTERIZATION OF A POTENT GH74 ENDO-XYLOGLUCA CELLVIBRIO JAPONICUS HYDROLASE CELLVIBRIO JAPONICUS XYLOGLUCAN SACCHARIFICATIONGLYCOSIDE HYDROLASE CARBOHYDRATE BINDING MODULE GREEN FLUPROTEIN
Ref.: FUNCTIONAL AND STRUCTURAL CHARACTERIZATION OF A POT ENDO-XYLOGLUCANASE FROM THE SOIL SAPROPHYTE CELLVIB JAPONICUS UNRAVELS THE FIRST STEP OF XYLOGLUCAN DEG FEBS J. V. 283 1701 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 5FKS - BGC BGC BGC XYS BGC 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 15 families.
1 5FKS - BGC BGC BGC XYS BGC XYS GAL n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 5FKS - BGC BGC BGC XYS BGC XYS GAL n/a n/a
2 2CN3 - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
3 2EBS - BGC BGC XYS BGC XYS BGC XYS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC BGC XYS BGC GAL XYS BGC XYS GAL; Similar ligands found: 114
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC XYS BGC GAL XYS BGC XYS GAL 1 1
2 GAL XYS XYS BGC BGC BGC XYS GAL BGC 1 1
3 GLC BGC BGC XYS BGC XYS XYS GAL GAL 1 1
4 GAL BGC BGC BGC XYS XYS 1 1
5 GLC BGC BGC XYS BGC XYS XYS 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 XYS BGC BGC XYS XYS GAL GAL 0.855422 0.972222
11 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.855422 0.972222
12 BGC BGC BGC XYS BGC XYS XYS 0.848101 1
13 GLC BGC BGC XYS BGC XYS XYS 0.848101 1
14 BGC BGC XYS BGC XYS BGC XYS 0.848101 1
15 GLC GLC BGC XYS BGC XYS 0.835443 1
16 GLC BGC BGC BGC XYS BGC XYS XYS 0.819277 0.972222
17 BGC BGC BGC XYS BGC BGC 0.814815 1
18 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.814815 1
19 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.814815 1
20 BGC BGC XYS BGC 0.765432 1
21 GAL BGC BGC XYS 0.7625 1
22 GLC GLC XYS XYS 0.7 0.971429
23 NBG BGC BGC XYS BGC XYS XYS 0.621053 0.744681
24 BMA BMA GLA BMA BMA 0.593023 0.942857
25 GLC GLC GLC BGC 0.581395 0.942857
26 GLO BGC BGC XYS BGC XYS XYS 0.518868 0.972222
27 BMA BMA BMA 0.518519 0.942857
28 CE5 0.518519 0.942857
29 CE8 0.518519 0.942857
30 MTT 0.518519 0.942857
31 CTT 0.518519 0.942857
32 DXI 0.518519 0.942857
33 GLC BGC BGC BGC BGC BGC 0.518519 0.942857
34 GLA GAL GLC 0.518519 0.942857
35 GAL GAL GAL 0.518519 0.942857
36 CEX 0.518519 0.942857
37 B4G 0.518519 0.942857
38 BGC GLC GLC 0.518519 0.942857
39 BMA BMA BMA BMA BMA 0.518519 0.942857
40 BMA MAN BMA 0.518519 0.942857
41 GLC GLC GLC GLC GLC 0.518519 0.942857
42 BGC GLC GLC GLC 0.518519 0.942857
43 BGC BGC BGC GLC 0.518519 0.942857
44 BGC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
45 CTR 0.518519 0.942857
46 MLR 0.518519 0.942857
47 GLC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
48 GLC GLC BGC GLC GLC GLC GLC 0.518519 0.942857
49 BGC BGC BGC BGC BGC BGC 0.518519 0.942857
50 CT3 0.518519 0.942857
51 GLC GLC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
52 GLC GAL GAL 0.518519 0.942857
53 MAN MAN BMA BMA BMA BMA 0.518519 0.942857
54 BGC GLC GLC GLC GLC 0.518519 0.942857
55 GLC BGC BGC BGC BGC 0.518519 0.942857
56 MT7 0.518519 0.942857
57 GLC BGC BGC 0.518519 0.942857
58 GLC BGC GLC 0.518519 0.942857
59 MAN BMA BMA 0.518519 0.942857
60 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.518519 0.942857
61 CE6 0.518519 0.942857
62 GLC GLC BGC 0.518519 0.942857
63 BMA BMA BMA BMA BMA BMA 0.518519 0.942857
64 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.518519 0.942857
65 MAN BMA BMA BMA BMA 0.518519 0.942857
66 CEY 0.518519 0.942857
67 LBT 0.506329 0.942857
68 CBI 0.506329 0.942857
69 GLA GLA 0.506329 0.942857
70 BGC GAL 0.506329 0.942857
71 BGC GLC 0.506329 0.942857
72 LAT 0.506329 0.942857
73 GLC GAL 0.506329 0.942857
74 BMA GAL 0.506329 0.942857
75 BGC BMA 0.506329 0.942857
76 CBK 0.506329 0.942857
77 GAL GLC 0.506329 0.942857
78 MAL MAL 0.506329 0.916667
79 MAB 0.506329 0.942857
80 GAL BGC 0.506329 0.942857
81 GLA GAL 0.506329 0.942857
82 B2G 0.506329 0.942857
83 BMA BMA 0.506329 0.942857
84 GLC BGC 0.506329 0.942857
85 N9S 0.506329 0.942857
86 MAL 0.506329 0.942857
87 GLC GLC GLC GLC GLC GLC 0.505618 0.942857
88 BMA BMA BMA BMA BMA BMA MAN 0.494118 0.916667
89 MAN BMA BMA BMA BMA BMA 0.494118 0.916667
90 BMA BMA BMA BMA GLA BMA GLA 0.481481 0.85
91 BMA MAN 0.46988 0.916667
92 BGC BGC BGC BGC 0.466667 0.942857
93 BGC BGC BGC BGC BGC BGC BGC BGC 0.466667 0.942857
94 GLA GAL GAL 0.454545 0.942857
95 GLA GAL BGC 0.454545 0.942857
96 ABD 0.436893 0.717391
97 GLC GLC GLC GLC 0.434783 0.942857
98 BGC BGC GLC 0.426966 0.942857
99 GLC GLC XYP 0.410526 0.942857
100 GLC GAL FUC 0.410526 0.916667
101 FUC LAT 0.410526 0.916667
102 BGC GAL FUC 0.410526 0.916667
103 FUC GAL GLC 0.410526 0.916667
104 LAT FUC 0.410526 0.916667
105 GLC GLC FRU 0.41 0.871795
106 MAN MAN MAN BMA MAN 0.405941 0.942857
107 GLC GLC G6D ACI GLC GLC GLC 0.405405 0.75
108 LAT GLA 0.404762 0.942857
109 G2F BGC BGC BGC BGC BGC 0.404255 0.825
110 GLC GLC ACI G6D GLC GLC 0.403509 0.702128
111 GLC GLC AGL HMC GLC 0.403509 0.702128
112 ACR GLC GLC GLC 0.403509 0.702128
113 GLC GLC DAF BGC 0.403509 0.702128
114 GLC GLC GLC G6D ADH GLC 0.4 0.693878
Ligand no: 2; Ligand: BGC BGC BGC XYS BGC XYS GAL; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC BGC XYS BGC XYS GAL 1 1
2 GAL BGC BGC BGC XYS BGC XYS 1 1
3 GLC BGC BGC XYS BGC XYS XYS GAL 0.949367 1
4 GAL BGC BGC BGC XYS XYS 0.949367 1
5 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.949367 1
6 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.949367 1
7 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.949367 1
8 BGC BGC BGC XYS GAL 0.906667 1
9 GLC GLC BGC XYS BGC XYS 0.88 1
10 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.857143 1
11 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.857143 1
12 BGC BGC BGC XYS BGC BGC 0.857143 1
13 BGC BGC XYS BGC XYS GAL 0.807229 0.972222
14 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.807229 0.972222
15 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.807229 0.972222
16 GAL BGC BGC XYS 0.802632 1
17 BGC BGC XYS BGC XYS BGC XYS 0.797468 1
18 GLC BGC BGC XYS BGC XYS XYS 0.797468 1
19 BGC BGC BGC XYS BGC XYS XYS 0.797468 1
20 GLC BGC BGC BGC XYS BGC XYS XYS 0.771084 0.972222
21 BGC BGC XYS BGC 0.716049 1
22 GLC GLC XYS XYS 0.65 0.971429
23 BMA BMA GLA BMA BMA 0.621951 0.942857
24 NBG BGC BGC XYS BGC XYS XYS 0.578947 0.744681
25 CEY 0.545455 0.942857
26 GAL GAL GAL 0.545455 0.942857
27 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.545455 0.942857
28 CTT 0.545455 0.942857
29 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.545455 0.942857
30 BGC BGC BGC BGC BGC BGC 0.545455 0.942857
31 GLC BGC BGC BGC BGC BGC 0.545455 0.942857
32 CE6 0.545455 0.942857
33 DXI 0.545455 0.942857
34 GLC GAL GAL 0.545455 0.942857
35 MAN MAN BMA BMA BMA BMA 0.545455 0.942857
36 BGC GLC GLC GLC GLC 0.545455 0.942857
37 BGC GLC GLC 0.545455 0.942857
38 MAN BMA BMA BMA BMA 0.545455 0.942857
39 BGC GLC GLC GLC GLC GLC GLC 0.545455 0.942857
40 MLR 0.545455 0.942857
41 BMA BMA BMA 0.545455 0.942857
42 GLC BGC BGC 0.545455 0.942857
43 GLC GLC GLC GLC GLC GLC GLC GLC 0.545455 0.942857
44 CE5 0.545455 0.942857
45 MT7 0.545455 0.942857
46 CTR 0.545455 0.942857
47 GLC GLC GLC GLC GLC 0.545455 0.942857
48 GLC BGC BGC BGC BGC 0.545455 0.942857
49 BMA BMA BMA BMA BMA BMA 0.545455 0.942857
50 MTT 0.545455 0.942857
51 BMA MAN BMA 0.545455 0.942857
52 GLA GAL GLC 0.545455 0.942857
53 BGC BGC BGC GLC 0.545455 0.942857
54 BMA BMA BMA BMA BMA 0.545455 0.942857
55 CE8 0.545455 0.942857
56 CEX 0.545455 0.942857
57 GLC GLC GLC GLC GLC GLC GLC 0.545455 0.942857
58 BGC GLC GLC GLC 0.545455 0.942857
59 MAN BMA BMA 0.545455 0.942857
60 B4G 0.545455 0.942857
61 GLC GLC BGC 0.545455 0.942857
62 GLC BGC GLC 0.545455 0.942857
63 GLC GLC BGC GLC GLC GLC GLC 0.545455 0.942857
64 CT3 0.545455 0.942857
65 GLC GLC GLC BGC 0.534884 0.942857
66 BGC GAL 0.533333 0.942857
67 B2G 0.533333 0.942857
68 GLC GAL 0.533333 0.942857
69 GAL BGC 0.533333 0.942857
70 BMA BMA 0.533333 0.942857
71 N9S 0.533333 0.942857
72 MAB 0.533333 0.942857
73 GLA GAL 0.533333 0.942857
74 MAL MAL 0.533333 0.916667
75 GLC BGC 0.533333 0.942857
76 BGC BMA 0.533333 0.942857
77 BGC GLC 0.533333 0.942857
78 LAT 0.533333 0.942857
79 MAL 0.533333 0.942857
80 CBI 0.533333 0.942857
81 GLA GLA 0.533333 0.942857
82 LBT 0.533333 0.942857
83 CBK 0.533333 0.942857
84 GAL GLC 0.533333 0.942857
85 BMA GAL 0.533333 0.942857
86 BMA BMA BMA BMA BMA BMA MAN 0.518519 0.916667
87 MAN BMA BMA BMA BMA BMA 0.518519 0.916667
88 BMA BMA BMA BMA GLA BMA GLA 0.5 0.85
89 GLC GLC GLC GLC GLC GLC 0.494253 0.942857
90 BMA MAN 0.493671 0.916667
91 BGC BGC BGC BGC BGC BGC BGC BGC 0.488372 0.942857
92 BGC BGC BGC BGC 0.488372 0.942857
93 GLO BGC BGC XYS BGC XYS XYS 0.481132 0.972222
94 GLA GAL GAL 0.47619 0.942857
95 GLA GAL BGC 0.47619 0.942857
96 ABD 0.454545 0.717391
97 BGC BGC GLC 0.447059 0.942857
98 LAT FUC 0.428571 0.916667
99 FUC LAT 0.428571 0.916667
100 FUC GAL GLC 0.428571 0.916667
101 GLC GLC XYP 0.428571 0.942857
102 GLC GAL FUC 0.428571 0.916667
103 BGC GAL FUC 0.428571 0.916667
104 LAT GLA 0.425 0.942857
105 G2F BGC BGC BGC BGC BGC 0.422222 0.825
106 GLC GLC G6D ACI GLC GLC GLC 0.420561 0.75
107 GLC GLC ACI G6D GLC GLC 0.418182 0.702128
108 GLC GLC DAF BGC 0.418182 0.702128
109 ACR GLC GLC GLC 0.418182 0.702128
110 GLC GLC AGL HMC GLC 0.418182 0.702128
111 GLC GLC GLC G6D ADH GLC 0.414414 0.693878
112 GAL BGC NAG GAL 0.414141 0.702128
113 GLC AGL GLC HMC 0.412844 0.6875
114 GLA EGA 0.411765 0.891892
115 GLC ACI G6D BGC 0.409524 0.75
116 GLC ACI GLD GLC 0.409524 0.75
117 GLC G6D ADH GLC 0.409524 0.75
118 GLC G6D ACI GLC 0.409524 0.75
119 AHR XYS XYS 0.408602 0.918919
120 BGC GLA GAL FUC 0.408163 0.916667
121 GAL NGA GLA BGC GAL 0.407767 0.702128
122 GLC ACI G6D GLC 0.407407 0.702128
123 GLC ACI GLD GAL 0.407407 0.702128
124 NGA GAL BGC 0.40625 0.702128
125 AAO 0.405405 0.702128
126 ARE 0.405405 0.702128
127 GLC GLC XYS 0.404255 0.916667
128 GAL FUC 0.4 0.888889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FKS; Ligand: BGC BGC XYS BGC GAL XYS BGC XYS GAL; Similar sites found: 2
This union binding pocket(no: 1) in the query (biounit: 5fks.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1U8Z GDP 0.019 0.40336 8.92857
2 2P3I MNA 0.01174 0.40951 11.8012
Pocket No.: 2; Query (leader) PDB : 5FKS; Ligand: BGC BGC BGC XYS BGC XYS GAL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5fks.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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