Receptor
PDB id Resolution Class Description Source Keywords
5MGD 2.15 Å EC: 3.2.1.23 STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER COMPLEX WITH 6-GALACTOSYL-LACTOSE ASPERGILLUS NIGER CBS 513.88 TIM BARREL GH35 GLYCOSIDE HYDROLASE KINETICS PROTEIN CONFORMATION CARBOHYDRATE METABOLISM B-GALACTOSIDASE ASPNIGER FUNGAL PROTEIN SUBSTRATE SPECIFICITY PREBIOTICS GALACTOOLIGOSACCHARIDES GOS RECOMBINANT 6-GAL-LAC 6- GALACTOSYLLACTOSE HYDROLASE
Ref.: STRUCTURAL FEATURES OF ASPERGILLUS NIGER BETA-GALAC DEFINE ITS ACTIVITY AGAINST GLYCOSIDE LINKAGES. FEBS J. V. 284 1815 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG A:1777;
A:1739;
A:1402;
A:1478;
A:1760;
A:1156;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
DMS A:3001;
Invalid;
none;
submit data
78.133 C2 H6 O S CS(=O...
CL A:3002;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GLC GAL GAL E:1;
Valid;
none;
submit data
n/a n/a
NAG NAG BMA MAN MAN MAN MAN MAN B:1;
Invalid;
none;
submit data
n/a n/a
NAG NAG BMA MAN MAN MAN D:1;
Invalid;
none;
submit data
n/a n/a
NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN C:1;
Invalid;
none;
submit data
1721.53 n/a O=C(N...
1PE A:3003;
Invalid;
none;
submit data
238.278 C10 H22 O6 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MGD 2.15 Å EC: 3.2.1.23 STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER COMPLEX WITH 6-GALACTOSYL-LACTOSE ASPERGILLUS NIGER CBS 513.88 TIM BARREL GH35 GLYCOSIDE HYDROLASE KINETICS PROTEIN CONFORMATION CARBOHYDRATE METABOLISM B-GALACTOSIDASE ASPNIGER FUNGAL PROTEIN SUBSTRATE SPECIFICITY PREBIOTICS GALACTOOLIGOSACCHARIDES GOS RECOMBINANT 6-GAL-LAC 6- GALACTOSYLLACTOSE HYDROLASE
Ref.: STRUCTURAL FEATURES OF ASPERGILLUS NIGER BETA-GALAC DEFINE ITS ACTIVITY AGAINST GLYCOSIDE LINKAGES. FEBS J. V. 284 1815 2017
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 5MGC - GLC GAL GAL n/a n/a
2 5MGD - GLC GAL GAL n/a n/a
3 5JUV - GAL GAL n/a n/a
4 5IHR - GLC GAL n/a n/a
5 5IFT - GLC GAL n/a n/a
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1XC6 - GAL C6 H12 O6 C([C@@H]1[....
2 3OGR - GAL C6 H12 O6 C([C@@H]1[....
3 3OGV - PTQ C14 H20 O5 S c1ccc(cc1)....
4 3OGS - IPT C9 H18 O5 S CC(C)S[C@H....
5 5MGC - GLC GAL GAL n/a n/a
6 5MGD - GLC GAL GAL n/a n/a
7 5JUV - GAL GAL n/a n/a
8 5IHR - GLC GAL n/a n/a
9 5IFT - GLC GAL n/a n/a
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1XC6 - GAL C6 H12 O6 C([C@@H]1[....
2 3OGR - GAL C6 H12 O6 C([C@@H]1[....
3 3OGV - PTQ C14 H20 O5 S c1ccc(cc1)....
4 3OGS - IPT C9 H18 O5 S CC(C)S[C@H....
5 5MGC - GLC GAL GAL n/a n/a
6 5MGD - GLC GAL GAL n/a n/a
7 5JUV - GAL GAL n/a n/a
8 5IHR - GLC GAL n/a n/a
9 5IFT - GLC GAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GAL GAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GAL GAL; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GLC GAL GAL 1.0000
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MGD; Ligand: GLC GAL GAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5mgd.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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