Receptor
PDB id Resolution Class Description Source Keywords
1QNU 2.23 Å NON-ENZYME: TOXIN_VIRAL SHIGA-LIKE TOXIN I B SUBUNIT COMPLEXED WITH THE BRIDGED-STAR INHIBITOR ESCHERICHIA COLI O157:H7 TOXIN SUBNANOMOLAR INHIBITOR MULTIVALENT PROTEIN-CARBOHYDRRECOGNITION OB-FOLD
Ref.: SHIGA-LIKE TOXINS ARE NEUTRALIZED BY TAILORED MULTI CARBOHYDRATE LIGANDS. NATURE V. 403 669 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL GAL GLC EMB MEC A:190;
B:290;
C:390;
D:490;
E:590;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data n/a n/a 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 62 families.
1 1QNU - GAL GAL GLC EMB MEC n/a n/a
2 1CQF - GLA GAL BGC n/a n/a
3 1D1I - GLA GAL BGC n/a n/a
4 1D1K - GLA GAL GLC n/a n/a
5 1C4Q - GLA GAL BGC 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 43 families.
1 2BOS - GLA GAL GLC n/a n/a
2 1QNU - GAL GAL GLC EMB MEC n/a n/a
3 1CQF - GLA GAL BGC n/a n/a
4 1D1I - GLA GAL BGC n/a n/a
5 1D1K - GLA GAL GLC n/a n/a
6 1C4Q - GLA GAL BGC 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 35 families.
1 2BOS - GLA GAL GLC n/a n/a
2 1QNU - GAL GAL GLC EMB MEC n/a n/a
3 1CQF - GLA GAL BGC n/a n/a
4 1D1I - GLA GAL BGC n/a n/a
5 1D1K - GLA GAL GLC n/a n/a
6 1C4Q - GLA GAL BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL GAL GLC EMB MEC; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1C4Q; Ligand: GLA GAL BGC; 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 80 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1C4Q; Ligand: GLA GAL BGC; 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 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1C4Q; Ligand: GLA GAL BGC; 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 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1C4Q; Ligand: GLA GAL BGC; 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 73 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1C4Q; Ligand: GLA GAL BGC; 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 49 residues
No: Leader PDB Ligand Sequence Similarity
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