Receptor
PDB id Resolution Class Description Source Keywords
1D1K 2 Å NON-ENZYME: TOXIN_VIRAL MUTATED SHIGA-LIKE TOXIN B SUBUNIT (D17E/W34A) COMPLEXED WIT GB3 ANALOGUE PHAGE H30 TOXIN RECEPTOR BINDING PROTEIN-CARBOHYDRATE RECOGNITION O
Ref.: MUTATED SHIGA-LIKE TOXIN B SUBUNIT (D17E/W34A) COMP WITH RECEPTOR GB3 ANALOGUE TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC GAL GLA F:1;
G:1;
J:1;
H:1;
I:1;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1C4Q 1.52 Å NON-ENZYME: TOXIN_VIRAL MUTATED SHIGA-LIKE TOXIN B SUBUNIT (F30A/W34A) COMPLEXED WIT GB3 ANALOGUE ESCHERICHIA COLI TOXIN RECEPTOR BINDING PROTEIN-CARBOHYDRATE RECOGNITION O
Ref.: IDENTIFICATION OF THE PRIMARY RECEPTOR BINDING SITE SHIGA-LIKE TOXIN B SUBUNITS: STRUCTURES OF MUTATED SHIGA-LIKE TOXIN I B-PENTAMER WITH AND WITHOUT BOUN CARBOHYDRATE TO BE PUBLISHED
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 64 families.
1 1QNU - GLC GAL EMB GAL MEC n/a n/a
2 1CQF - BGC GAL GLA n/a n/a
3 1D1I - BGC GAL GLA n/a n/a
4 1D1K - GLC GAL GLA n/a n/a
5 1C4Q - BGC GAL GLA n/a n/a
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 44 families.
1 2BOS - GLC NBU GAL GLA n/a n/a
2 1QNU - GLC GAL EMB GAL MEC n/a n/a
3 1CQF - BGC GAL GLA n/a n/a
4 1D1I - BGC GAL GLA n/a n/a
5 1D1K - GLC GAL GLA n/a n/a
6 1C4Q - BGC GAL GLA n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 36 families.
1 2BOS - GLC NBU GAL GLA n/a n/a
2 1QNU - GLC GAL EMB GAL MEC n/a n/a
3 1CQF - BGC GAL GLA n/a n/a
4 1D1I - BGC GAL GLA n/a n/a
5 1D1K - GLC GAL GLA n/a n/a
6 1C4Q - BGC GAL GLA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GAL GLA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GAL GLA; Similar ligands found: 6
No: Ligand Similarity coefficient
1 GLC GAL GLA 1.0000
2 BGC GAL GLA 0.9992
3 GAL BGC GLA 0.9611
4 GLC NBU GAL GLA 0.9179
5 BGC 5VQ GAL GLA 0.8777
6 BGC GAL NAG 0.8556
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1C4Q; Ligand: BGC GAL GLA; 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: 1c4q.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1C4Q; Ligand: BGC GAL GLA; 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: 1c4q.bio1) has 49 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1C4Q; Ligand: BGC GAL GLA; 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: 1c4q.bio1) has 80 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1C4Q; Ligand: BGC GAL GLA; 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: 1c4q.bio1) has 65 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1C4Q; Ligand: BGC GAL GLA; 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: 1c4q.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
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