Receptor
PDB id Resolution Class Description Source Keywords
5E70 2.33 Å EC: 2.4.1.18 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...
GLC GLC GLC GLC GLC GLC GLC GLC F:5;
E:1;
H:1;
G:1;
I:1;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
Kd = 160 uM
1297.13 n/a OCC1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5E70 2.33 Å EC: 2.4.1.18 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 3 families.
1 5E6Z - GLC GLC GLC GLC GLC GLC GLC n/a n/a
2 5E70 Kd = 160 uM GLC GLC GLC GLC GLC GLC GLC GLC n/a n/a
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 3 families.
1 5E6Z - GLC GLC GLC GLC GLC GLC GLC n/a n/a
2 5E70 Kd = 160 uM GLC GLC GLC GLC GLC GLC GLC GLC n/a n/a
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 2 families.
1 5E6Z - GLC GLC GLC GLC GLC GLC GLC n/a n/a
2 5E70 Kd = 160 uM GLC GLC GLC GLC GLC GLC GLC GLC n/a n/a
3 4LPC - BGC GLC n/a n/a
4 5GQX - GLC GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC GLC GLC; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC GLC GLC 1 1
2 GLC GLC GLC GLC GLC GLC 1 1
3 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
4 GLC GLC GLC GLC 0.510638 0.939394
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC GLC GLC; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5E70; Ligand: GLC GLC GLC GLC GLC GLC GLC GLC; 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 10 residues
No: Leader PDB Ligand Sequence Similarity
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