Receptor
PDB id Resolution Class Description Source Keywords
6RL1 1.7 Å NON-ENZYME: BINDING THE CRYSTAL STRUCTURE OF ABNE, AN ARABINO-OLIGOSACCHARIDE BI PROTEIN, IN COMPLEX WITH ARABINOTRIOSE GEOBACILLUS STEAROTHERMOPHILUS ABC TRANSPORTER GEOBACILLUS STEAROTHERMOPHILUS ARABINOTRIOARABINO-OLIGOSACCHARIDE SUGAR BINDING PROTEIN
Ref.: CARBOHYDRATE-BINDING CAPABILITY AND FUNCTIONAL CONFORMATIONAL CHANGES OF ABNE, AN ARABINO-OLIGOSAC BINDING PROTEIN. J.MOL.BIOL. V. 432 2099 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:502;
A:503;
A:501;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
CA A:504;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
AHR AHR AHR B:1;
 Valid;
 none;
 submit data
412.344 n/a O=CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6RKJ 1.6 Å NON-ENZYME: BINDING THE CRYSTAL STRUCTURE OF ABNE, AN ARABINO-OLIGOSACCHARIDE BI PROTEIN, IN COMPLEX WITH ARABINOOCTAOSE GEOBACILLUS STEAROTHERMOPHILUS GEOBACILLUS STEAROTHERMOPHILUS ARABINO-OLIGOSACCHARIDE ARABINOHEXAOSE ABC TRANSPORTER SUGAR BINDING PROTEIN
Ref.: CARBOHYDRATE-BINDING CAPABILITY AND FUNCTIONAL CONFORMATIONAL CHANGES OF ABNE, AN ARABINO-OLIGOSAC BINDING PROTEIN. J.MOL.BIOL. V. 432 2099 2020
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 6RKH - AHR AHR AHR AHR AHR AHR n/a n/a
2 6RJY - AHR AHR n/a n/a
3 6RL2 - AHR AHR AHR AHR n/a n/a
4 6RKX - AHR AHR AHR AHR AHR n/a n/a
5 6RKJ - AHR AHR AHR AHR AHR AHR n/a n/a
6 6RKL - AHR AHR AHR AHR AHR AHR n/a n/a
7 6RL1 - AHR AHR AHR n/a n/a
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 6RKH - AHR AHR AHR AHR AHR AHR n/a n/a
2 6RJY - AHR AHR n/a n/a
3 6RL2 - AHR AHR AHR AHR n/a n/a
4 6RKX - AHR AHR AHR AHR AHR n/a n/a
5 6RKJ - AHR AHR AHR AHR AHR AHR n/a n/a
6 6RKL - AHR AHR AHR AHR AHR AHR n/a n/a
7 6RL1 - AHR AHR AHR n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 6RKH - AHR AHR AHR AHR AHR AHR n/a n/a
2 6RJY - AHR AHR n/a n/a
3 6RL2 - AHR AHR AHR AHR n/a n/a
4 6RKX - AHR AHR AHR AHR AHR n/a n/a
5 6RKJ - AHR AHR AHR AHR AHR AHR n/a n/a
6 6RKL - AHR AHR AHR AHR AHR AHR n/a n/a
7 6RL1 - AHR AHR AHR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AHR AHR AHR; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AHR AHR AHR 1 1
2 AHR AHR AHR AHR AHR AHR 0.634615 0.939394
3 AHR AHR AHR AHR AHR 0.634615 0.939394
4 AHR AHR AHR AHR 0.634615 0.939394
5 AHR AHR 0.576923 0.939394
6 BGC GLC GLC GLC GLC 0.483333 0.805556
7 BGC GLC GLC GLC GLC GLC 0.483333 0.805556
Similar Ligands (3D)
Ligand no: 1; Ligand: AHR AHR AHR; 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 : 6RKJ; Ligand: AHR AHR AHR AHR AHR AHR; 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: 6rkj.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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