Receptor
PDB id Resolution Class Description Source Keywords
5fix 2.01 Å EC: 3.2.1.26 STRUCTURE OF D80A-FRUCTOFURANOSIDASE FROM XANTHOPHYLLOMYCES DENDRORHOUS COMPLEXED WITH SUCROSE XANTHOPHYLLOMYCES DENDRORHOUS AMINO ACID SEQUENCE CARBOHYDRATES CATALYTIC DOMAIN DIMERIGLYCOSIDE HYDROLASES FUNGAL PROTEINS SUBSTRATE SPECIFICITINVERTASE PREBIOTICS SUCROSE HYDROLASE
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 F:1;
 Invalid;
 none;
 submit data
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;
B:1357;
A:1215;
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 D:1;
G:1;
 Invalid;
Invalid;
 none;
none;
 submit data
1721.53 n/a O=C(N...
NAG NAG H:1;
E:1;
 Invalid;
Invalid;
 none;
none;
 submit data
408.404 n/a O=C(N...
NAG NAG BMA MAN MAN MAN MAN C:1;
 Invalid;
 none;
 submit data
1219.11 n/a O=C(N...
GLC FRU L:1;
I:1;
J:1;
K:1;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
340.281 n/a O=CC1...
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 9 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 - GLC FRU n/a n/a
5 5FK8 - GLC GLC FRU n/a n/a
6 5FKB - GLC FRU FRU n/a n/a
7 5FMD - GLC FRU FRU FRU n/a n/a
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 9 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 - GLC FRU n/a n/a
5 5FK8 - GLC GLC FRU n/a n/a
6 5FKB - GLC FRU FRU n/a n/a
7 5FMD - GLC FRU FRU FRU n/a n/a
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 8 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 - GLC FRU n/a n/a
5 5FK8 - GLC GLC FRU n/a n/a
6 5FKB - GLC FRU FRU n/a n/a
7 5FMD - GLC FRU FRU FRU n/a n/a
8 5FMC - FRU C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC FRU; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC FRU 1 1
2 GLC FRU GLA 0.761905 0.972973
3 FRU GLC GLA 0.5 0.921053
4 GLC FRU GLA GLA GLA 0.492958 0.921053
5 GLC FRU GLA GLA 0.492958 0.921053
6 GLC FRU FRU FRU 0.492958 0.921053
7 ZEE UEA FRU FRU FRU 0.492958 0.921053
8 GLC FRU FRU 0.457143 0.921053
9 ARA TT7 4GL 0.445783 0.744681
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC FRU; Similar ligands found: 23
No: Ligand Similarity coefficient
1 GLC Z9N 0.9697
2 MAN MAN 0.9233
3 FRU FRU 0.9109
4 MMA MAN 0.9053
5 RRY RRJ 0.9023
6 BDF GLC 0.9009
7 FRU GLC 0.8988
8 TW7 GLC 0.8931
9 GLC GLC 0.8902
10 GLA GLC 0.8842
11 ADA AQA 0.8838
12 GLC IFM 0.8831
13 4UO 0.8776
14 GLC 7LQ 0.8767
15 GAL GLA 0.8744
16 ADA ADA 0.8733
17 GLC DMJ 0.8705
18 B1T 0.8679
19 9E3 0.8670
20 GLA GLA 0.8647
21 RR7 GLC 0.8636
22 4P8 0.8619
23 CQW 0.8506
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FMD; Ligand: GLC FRU FRU FRU; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 5fmd.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 2ADD GLC FRU 12.8913
2 1Y9G FRU 16.6023
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