Receptor
PDB id Resolution Class Description Source Keywords
3W7W 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF E. COLI YGJK E727A COMPLEXED WITH 2-O-A GLUCOPYRANOSYL-ALPHA-D-GALACTOPYRANOSE ESCHERICHIA COLI GH63 PROCESSING ALPHA-GLUCOSIDASE I ALPHA/ALPHA BARREL HY
Ref.: STRUCTURE OF A BACTERIAL GLYCOSIDE HYDROLASE FAMILY ENZYME IN COMPLEX WITH ITS GLYCOSYNTHASE PRODUCT, A INSIGHTS INTO THE SUBSTRATE SPECIFICITY. FEBS J. V. 280 4560 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG B:804;
B:801;
A:1003;
A:1002;
A:1004;
A:1005;
B:803;
Part of Protein;
Invalid;
Part of Protein;
Invalid;
Invalid;
Part of Protein;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
CA A:1001;
B:802;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GLA GLC D:1;
C:1;
Valid;
Valid;
none;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3W7T 1.5 Å NON-ENZYME: OTHER ESCHERICHIA COLI K12 YGJK COMPLEXED WITH MANNOSE ESCHERICHIA COLI GH63 PROCESSING ALPHA-GLUCOSIDASE I ALPHA/ALPHA BARREL HY
Ref.: STRUCTURAL INSIGHTS INTO THE SUBSTRATE SPECIFICITY FUNCTION OF ESCHERICHIA COLI K12 YGJK, A GLUCOSIDAS BELONGING TO THE GLYCOSIDE HYDROLASE FAMILY 63. J.MOL.BIOL. V. 381 116 2008
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3W7S - GLC C6 H12 O6 C([C@@H]1[....
2 3W7U - GLA C6 H12 O6 C([C@@H]1[....
3 3W7T - BMA C6 H12 O6 C([C@@H]1[....
4 3W7W - GLA GLC n/a n/a
5 5CA3 - BGC C6 H12 O6 C([C@@H]1[....
6 5GW7 - BGC C6 H12 O6 C([C@@H]1[....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3W7S - GLC C6 H12 O6 C([C@@H]1[....
2 3W7U - GLA C6 H12 O6 C([C@@H]1[....
3 3W7T - BMA C6 H12 O6 C([C@@H]1[....
4 3W7W - GLA GLC n/a n/a
5 5CA3 - BGC C6 H12 O6 C([C@@H]1[....
6 5GW7 - BGC C6 H12 O6 C([C@@H]1[....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3W7S - GLC C6 H12 O6 C([C@@H]1[....
2 3W7U - GLA C6 H12 O6 C([C@@H]1[....
3 3W7T - BMA C6 H12 O6 C([C@@H]1[....
4 3W7W - GLA GLC n/a n/a
5 5CA3 - BGC C6 H12 O6 C([C@@H]1[....
6 5GW7 - BGC C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLA GLC; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: GLA GLC; Similar ligands found: 9
No: Ligand Similarity coefficient
1 GLA GLC 1.0000
2 MAN MAN 0.9115
3 XMM 0.8877
4 GLC FRU 0.8842
5 MAN IFM 0.8714
6 7D1 MAN 0.8669
7 MMA MAN 0.8654
8 BWG 0.8639
9 MAN NAG 0.8580
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3W7T; Ligand: BMA; 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: 3w7t.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3W7T; Ligand: BMA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3w7t.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3W7T; Ligand: BMA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3w7t.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3W7T; Ligand: BMA; Similar sites found with APoc: 1
This union binding pocket(no: 4) in the query (biounit: 3w7t.bio2) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 5V7P SAH 33.6842
Pocket No.: 5; Query (leader) PDB : 3W7T; Ligand: BMA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3w7t.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3W7T; Ligand: BMA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3w7t.bio2) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3W7T; Ligand: BMA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3w7t.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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