Receptor
PDB id Resolution Class Description Source Keywords
5E70 2.33 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ECOLI BRANCHING ENZYME WITH GAMMA CYCLO ESCHERICHIA COLI O139:H28 (STRAIN E243ETEC) BRANCHING ENZYME CYCLODEXTRIN GLYCOGEN STARCH GLUCAN TR
Ref.: CRYSTAL STRUCTURES OF ESCHERICHIA COLI BRANCHING EN COMPLEX WITH CYCLODEXTRINS. ACTA CRYSTALLOGR D STRUCT V. 72 641 2016 BIOL
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:803;
D:804;
B:802;
B:803;
D:803;
A:802;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
RCD A:801;
D:801;
C:801;
B:801;
D:802;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
Kd = 160 uM
1297.12 C48 H80 O40 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5E70 2.33 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ECOLI BRANCHING ENZYME WITH GAMMA CYCLO ESCHERICHIA COLI O139:H28 (STRAIN E243ETEC) BRANCHING ENZYME CYCLODEXTRIN GLYCOGEN STARCH GLUCAN TR
Ref.: CRYSTAL STRUCTURES OF ESCHERICHIA COLI BRANCHING EN COMPLEX WITH CYCLODEXTRINS. ACTA CRYSTALLOGR D STRUCT V. 72 641 2016 BIOL
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5E6Z - BCD C42 H70 O35 C([C@@H]1[....
2 5E70 Kd = 160 uM RCD C48 H80 O40 C([C@@H]1[....
3 4LPC - BGC GLC n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5E6Z - BCD C42 H70 O35 C([C@@H]1[....
2 5E70 Kd = 160 uM RCD C48 H80 O40 C([C@@H]1[....
3 4LPC - BGC GLC n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5E6Z - BCD C42 H70 O35 C([C@@H]1[....
2 5E70 Kd = 160 uM RCD C48 H80 O40 C([C@@H]1[....
3 4LPC - BGC GLC n/a n/a
4 5GQX - GLC GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RCD; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 RCD 1 1
2 BCD 1 1
3 GLC GLC GLC GLC GLC GLC 1 1
4 GLC GLC GLC GLC GLC GLC GLC 1 1
5 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
6 ACX 1 1
7 4CQ 0.529412 0.911765
8 GLC GLC GLC GLC 0.510638 0.939394
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5E70; Ligand: RCD; 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: 5e70.bio4) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5E70; Ligand: RCD; 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: 5e70.bio4) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5E70; Ligand: RCD; 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: 5e70.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5E70; Ligand: RCD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5e70.bio3) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5E70; Ligand: RCD; 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: 5e70.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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