Receptor
PDB id Resolution Class Description Source Keywords
5K6N 2.08 Å EC: 3.2.1.21 STRUCTURE OF A GH3 B-GLICOSIDASE FROM COW RUMEN METAGENOME I COMPLEXED WITH XYLOSE METAGENOME GLYCOSIDE HYDROLASE METAGENOME B-GLICOSIDASE FUNCTIONAL FPREBIOTICS MICROBIOTA XYLOSE HYDROLASE
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF A RUM BETA-GLYCOSIDASE DEFINES A NOVEL SUBFAMILY OF GLYCO HYDROLASE FAMILY 3 WITH PERMUTED DOMAIN TOPOLOGY. J.BIOL.CHEM. V. 291 24200 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1011;
A:1007;
A:1008;
A:1010;
A:1009;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:1004;
A:1003;
A:1005;
A:1002;
A:1006;
A:1001;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
XYP A:1000;
Valid;
none;
submit data
150.13 C5 H10 O5 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5K6N 2.08 Å EC: 3.2.1.21 STRUCTURE OF A GH3 B-GLICOSIDASE FROM COW RUMEN METAGENOME I COMPLEXED WITH XYLOSE METAGENOME GLYCOSIDE HYDROLASE METAGENOME B-GLICOSIDASE FUNCTIONAL FPREBIOTICS MICROBIOTA XYLOSE HYDROLASE
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF A RUM BETA-GLYCOSIDASE DEFINES A NOVEL SUBFAMILY OF GLYCO HYDROLASE FAMILY 3 WITH PERMUTED DOMAIN TOPOLOGY. J.BIOL.CHEM. V. 291 24200 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 5K6M - BGC C6 H12 O6 C([C@@H]1[....
2 5K6O - GAL C6 H12 O6 C([C@@H]1[....
3 5K6N - XYP C5 H10 O5 C1[C@H]([C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 5K6M - BGC C6 H12 O6 C([C@@H]1[....
2 5K6O - GAL C6 H12 O6 C([C@@H]1[....
3 5K6N - XYP C5 H10 O5 C1[C@H]([C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5K6M - BGC C6 H12 O6 C([C@@H]1[....
2 5K6O - GAL C6 H12 O6 C([C@@H]1[....
3 5K6N - XYP C5 H10 O5 C1[C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XYP; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 RIP 1 1
2 XYS 1 1
3 ARB 1 1
4 HSY 1 1
5 ARA 1 1
6 XYP 1 1
7 LXC 1 1
8 0MK 1 1
9 XYP XYS 0.414634 0.84375
10 BXP 0.414634 0.84375
11 XYS XYP 0.414634 0.84375
12 FU4 0.4 0.896552
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5K6N; Ligand: XYP; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5k6n.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4I3G BGC 13.1484
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