Receptor
PDB id Resolution Class Description Source Keywords
5FKC 1.82 Å EC: 3.2.1.26 STRUCTURE OF D80A-FRUCTOFURANOSIDASE FROM XANTHOPHYLLOMYCES DENDRORHOUS COMPLEXED WITH RAFFINOSE 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 RAFFINOSE
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;
A:1058;
Invalid;
Invalid;
none;
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;
B:1483;
A:1483;
A:1606;
B:1242;
A:1471;
B:1125;
A:1236;
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...
NAG NAG A:1576;
B:1576;
Invalid;
Invalid;
none;
none;
submit data
408.404 n/a O=C(N...
FRU GLC GLA A:3001;
B:3001;
Valid;
Valid;
none;
none;
submit data
504.438 n/a O(C1(...
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: FRU GLC GLA; Similar ligands found: 40
No: Ligand ECFP6 Tc MDL keys Tc
1 RAF 1 1
2 FRU GLC GLA 1 1
3 SUC 0.736842 0.972973
4 GLC FRU 0.736842 0.972973
5 SWE 0.736842 0.972973
6 SUC GLA 0.710145 0.947368
7 GLC FRU FRU 0.651515 0.947368
8 SUP 0.594203 0.782609
9 MAN MMA 0.53125 0.846154
10 20S 0.52439 0.782609
11 MAN MAN MAN 0.523077 0.891892
12 GLC GLC GLC 0.523077 0.891892
13 GLC GLC GLC GLC BGC 0.523077 0.891892
14 GLC GLC GLC GLC GLC BGC 0.523077 0.891892
15 DQR 0.521127 0.947368
16 BMA GLA 0.515625 0.891892
17 GLA GLC 0.515625 0.891892
18 MLB 0.515625 0.891892
19 MAN BMA 0.515625 0.891892
20 GLA BMA 0.515625 0.891892
21 GLA BGC 0.515625 0.891892
22 BGC GLA 0.515625 0.891892
23 LAK 0.515625 0.891892
24 GAL GAL 0.515625 0.891892
25 FNY 0.486842 0.947368
26 NYT 0.486842 0.947368
27 GLC GLC GLC GLC 0.453333 0.891892
28 GLC GLC GLC BGC 0.448718 0.891892
29 AHR AHR AHR 0.439394 0.864865
30 FUB AHR AHR 0.439394 0.864865
31 FUB AHR 0.4375 0.864865
32 AHR AHR 0.4375 0.864865
33 MAN MAN MAN MAN 0.417722 0.891892
34 MAN MAN BMA MAN 0.417722 0.891892
35 MAN MMA MAN 0.415584 0.846154
36 WZ2 0.407407 0.785714
37 GLC GLC GLC GLC GLC GLC 0.405063 0.891892
38 GLC GLC FRU 0.404762 0.973684
39 MAN H1M MAN 0.402439 0.785714
40 AGR 0.4 0.804348
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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