Receptor
PDB id Resolution Class Description Source Keywords
5FK8 1.88 Å EC: 3.2.1.26 STRUCTURE OF D80A-FRUCTOFURANOSIDASE FROM XANTHOPHYLLOMYCES DENDRORHOUS COMPLEXED WITH NEO-ERLOSE XANTHOPHYLLOMYCES DENDRORHOUS HYDROLASE AMINO ACID SEQUENCE CARBOHYDRATES CATALYSIS CADOMAIN CLONING DIMERIZATION QUATERNARY PICHIA PASTORISGLYCOSIDE HYDROLASES FUNGAL PROTEINS KINETICS MOLECULARMOLECULAR CONFORMATION PROTEIN CONFORMATION PROTEIN STRUCSECONDARY SUBSTRATE SPECIFICITY BETA-FRUCTOFURANOSIDASE INVERTASE PREBIOTICS NEOERLOSE
Ref.: STRUCTURAL ANALYSIS OF BETA-FRUCTOFURANOSIDASE FROM XANTHOPHYLLOMYCES DENDRORHOUS REVEALS UNIQUE FEATUR THE CRUCIAL ROLE OF N-GLYCOSYLATION IN OLIGOMERIZAT ACTIVITY J.BIOL.CHEM. V. 291 6843 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG BMA MAN MAN MAN B:1058;
Invalid;
none;
submit data n/a n/a n/a n/a
NAG A:1644;
A:1555;
B:1471;
B:1644;
A:1125;
B:1215;
A:1512;
B:1052;
A:1319;
B:1555;
B:1319;
A:1483;
B:1483;
A:1606;
B:1242;
A:1471;
A:1236;
B:1125;
A:1215;
B:1357;
A:1357;
B:1539;
A:1539;
A:1052;
B:1444;
A:1242;
A:1444;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN A:1107;
B:1107;
Invalid;
Invalid;
none;
none;
submit data
1721.53 n/a O=C(N...
GLC GLC FRU B:1001;
A:1001;
Valid;
Valid;
none;
none;
submit data
504.438 n/a O1C(O...
NAG NAG A:1576;
B:1576;
Invalid;
Invalid;
none;
none;
submit data
408.404 n/a O=C(N...
NAG NAG BMA MAN MAN MAN MAN A:1058;
Invalid;
none;
submit data
1219.11 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FMD 1.78 Å EC: 3.2.1.26 STRUCTURE OF D80A-FRUCTOFURANOSIDASE FROM XANTHOPHYLLOMYCES DENDRORHOUS COMPLEXED WITH NYSTOSE XANTHOPHYLLOMYCES DENDRORHOUS HYDROLASE CARBOHYDRATES CATALYSIS CATALYTIC DOMAIN CLONIDIMERIZATION QUATERNARY PICHIA PASTORIS GLYCOSIDE HYDROLFUNGAL PROTEINS KINETICS MOLECULAR CONFORMATION SUBSTRATSPECIFICITY INVERTASE PREBIOTICS NYSTOSE
Ref.: STRUCTURAL ANALYSIS OF BETA-FRUCTOFURANOSIDASE FROM XANTHOPHYLLOMYCES DENDRORHOUS REVEALS UNIQUE FEATUR THE CRUCIAL ROLE OF N-GLYCOSYLATION IN OLIGOMERIZAT ACTIVITY J.BIOL.CHEM. V. 291 6843 2016
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5FK7 - GLC FRU FRU n/a n/a
2 5FMB - FRU C6 H12 O6 C([C@@H]1[....
3 5FKC - FRU GLC GLA n/a n/a
4 5FIX - SUC C12 H22 O11 C([C@@H]1[....
5 5FK8 - GLC GLC FRU n/a n/a
6 5FKB - GLC FRU FRU n/a n/a
7 5FMD - NYT C24 H42 O21 C([C@@H]1[....
8 5FMC - FRU C6 H12 O6 C([C@@H]1[....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5FK7 - GLC FRU FRU n/a n/a
2 5FMB - FRU C6 H12 O6 C([C@@H]1[....
3 5FKC - FRU GLC GLA n/a n/a
4 5FIX - SUC C12 H22 O11 C([C@@H]1[....
5 5FK8 - GLC GLC FRU n/a n/a
6 5FKB - GLC FRU FRU n/a n/a
7 5FMD - NYT C24 H42 O21 C([C@@H]1[....
8 5FMC - FRU C6 H12 O6 C([C@@H]1[....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5FK7 - GLC FRU FRU n/a n/a
2 5FMB - FRU C6 H12 O6 C([C@@H]1[....
3 5FKC - FRU GLC GLA n/a n/a
4 5FIX - SUC C12 H22 O11 C([C@@H]1[....
5 5FK8 - GLC GLC FRU n/a n/a
6 5FKB - GLC FRU FRU n/a n/a
7 5FMD - NYT C24 H42 O21 C([C@@H]1[....
8 5FMC - FRU C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC FRU; Similar ligands found: 120
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC FRU 1 1
2 GLC FRU FRU 0.597222 0.973684
3 MAB 0.569231 0.868421
4 CBI 0.569231 0.868421
5 GLC BGC 0.569231 0.868421
6 B2G 0.569231 0.868421
7 BGC GLC 0.569231 0.868421
8 BGC GAL 0.569231 0.868421
9 BGC BMA 0.569231 0.868421
10 MAL MAL 0.569231 0.846154
11 GLA GLA 0.569231 0.868421
12 GAL GLC 0.569231 0.868421
13 BMA GAL 0.569231 0.868421
14 GAL BGC 0.569231 0.868421
15 GLC GAL 0.569231 0.868421
16 BMA BMA 0.569231 0.868421
17 GLA GAL 0.569231 0.868421
18 CBK 0.569231 0.868421
19 LAT 0.569231 0.868421
20 MAL 0.569231 0.868421
21 N9S 0.569231 0.868421
22 LBT 0.569231 0.868421
23 BMA BMA BMA 0.536232 0.868421
24 MAN MAN BMA BMA BMA BMA 0.536232 0.868421
25 BGC BGC BGC GLC 0.536232 0.868421
26 GLC GAL GAL 0.536232 0.868421
27 BGC GLC GLC GLC GLC GLC GLC 0.536232 0.868421
28 CTR 0.536232 0.868421
29 BMA MAN BMA 0.536232 0.868421
30 BGC GLC GLC GLC GLC 0.536232 0.868421
31 MAN BMA BMA 0.536232 0.868421
32 MLR 0.536232 0.868421
33 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.536232 0.868421
34 CE8 0.536232 0.868421
35 BGC GLC GLC GLC 0.536232 0.868421
36 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.536232 0.868421
37 GLC GLC GLC GLC GLC GLC GLC 0.536232 0.868421
38 GAL GAL GAL 0.536232 0.868421
39 GLC GLC GLC GLC GLC 0.536232 0.868421
40 CEY 0.536232 0.868421
41 GLC BGC GLC 0.536232 0.868421
42 GLC BGC BGC 0.536232 0.868421
43 MT7 0.536232 0.868421
44 DXI 0.536232 0.868421
45 GLC BGC BGC BGC BGC 0.536232 0.868421
46 MTT 0.536232 0.868421
47 GLA GAL GLC 0.536232 0.868421
48 BGC BGC BGC BGC BGC BGC 0.536232 0.868421
49 BMA BMA BMA BMA BMA BMA 0.536232 0.868421
50 GLC GLC BGC 0.536232 0.868421
51 CTT 0.536232 0.868421
52 BGC GLC GLC 0.536232 0.868421
53 CE5 0.536232 0.868421
54 GLC BGC BGC BGC BGC BGC 0.536232 0.868421
55 BMA BMA BMA BMA BMA 0.536232 0.868421
56 CEX 0.536232 0.868421
57 B4G 0.536232 0.868421
58 GLC GLC BGC GLC GLC GLC GLC 0.536232 0.868421
59 CT3 0.536232 0.868421
60 GLC GLC GLC GLC GLC GLC GLC GLC 0.536232 0.868421
61 CE6 0.536232 0.868421
62 MAN BMA BMA BMA BMA 0.536232 0.868421
63 GLC GLC GLC BGC 0.525641 0.868421
64 MAN BMA BMA BMA BMA BMA 0.506849 0.846154
65 BMA BMA BMA BMA BMA BMA MAN 0.506849 0.846154
66 GLA GAL GAL 0.5 0.868421
67 GLA GAL BGC 0.5 0.868421
68 BGC BGC XYS BGC 0.482353 0.871795
69 BGC BGC BGC BGC 0.474359 0.868421
70 BGC BGC BGC BGC BGC BGC BGC BGC 0.474359 0.868421
71 BGC BGC XYS BGC XYS BGC XYS 0.465909 0.871795
72 GLC BGC BGC XYS BGC XYS XYS 0.465909 0.871795
73 BGC BGC BGC XYS BGC XYS XYS 0.465909 0.871795
74 BMA BMA GLA BMA BMA 0.463415 0.868421
75 0UB 0.459459 0.897436
76 LBS 0.458333 0.897436
77 FUC GAL GLC 0.444444 0.846154
78 FUC LAT 0.444444 0.846154
79 GLC GLC GLC GLC GLC GLC 0.444444 0.868421
80 GLC GAL FUC 0.444444 0.846154
81 LAT FUC 0.444444 0.846154
82 BGC GAL FUC 0.444444 0.846154
83 4U0 0.442308 0.660377
84 GLC BGC BGC BGC XYS BGC XYS XYS 0.44086 0.85
85 GLC GLC BGC XYS BGC XYS 0.438202 0.871795
86 LAT NAG GAL 0.438202 0.66
87 BGC GAL NAG GAL 0.438202 0.66
88 GAL NAG GAL BGC 0.438202 0.66
89 NGA GAL BGC 0.435294 0.66
90 BGC BGC BGC XYS BGC BGC 0.428571 0.871795
91 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.428571 0.871795
92 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.428571 0.871795
93 DEL 0.426667 0.846154
94 DQR 0.425 0.973684
95 BGC GLA GAL FUC 0.420455 0.846154
96 GAL NGA GLA BGC GAL 0.419355 0.66
97 BGC BGC BGC XYS GAL 0.413043 0.871795
98 BGC BGC GLC 0.410256 0.868421
99 SGA BGC 0.410256 0.666667
100 GAL BGC BGC BGC XYS XYS 0.41 0.871795
101 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.41 0.871795
102 GLC BGC BGC XYS BGC XYS XYS GAL 0.41 0.871795
103 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.41 0.871795
104 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.41 0.871795
105 ABD 0.408602 0.673469
106 GLC G6D ACI GLC 0.40625 0.702128
107 GLC ACI G6D BGC 0.40625 0.702128
108 GLC G6D ADH GLC 0.40625 0.702128
109 GLC ACI GLD GLC 0.40625 0.702128
110 FRU GLC GLA 0.404762 0.973684
111 RAF 0.404762 0.973684
112 LAT GLA 0.402778 0.868421
113 GLC GLC XYS XYS 0.4 0.846154
114 SWE 0.4 0.947368
115 FNY 0.4 0.973684
116 SUC 0.4 0.947368
117 5GO 0.4 0.62963
118 GLC FRU 0.4 0.947368
119 NAG GAL BGC 0.4 0.66
120 NYT 0.4 0.973684
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FMD; Ligand: NYT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5fmd.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5FMD; Ligand: NYT; 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: 5fmd.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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