Receptor
PDB id Resolution Class Description Source Keywords
5HGR 1.68 Å NON-ENZYME: OTHER STRUCTURE OF ANABAENA (NOSTOC) SP. PCC 7120 ORANGE CAROTENOI BINDING CANTHAXANTHIN NOSTOC SP. (STRAIN PCC 7120 / UTEX 257ORGANISM_TAXID: 103690 CAROTENOID PHOTOPROTECTION CYANOBACTERIA CAROTENOID BINDIPROTEIN
Ref.: DIFFERENT FUNCTIONS OF THE PARALOGS TO THE N-TERMIN OF THE ORANGE CAROTENOID PROTEIN IN THE CYANOBACTER ANABAENA SP. PCC 7120. PLANT PHYSIOL. V. 171 1852 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
45D B:501;
A:501;
 Valid;
Valid;
 none;
none;
 submit data
564.84 C40 H52 O2 CC1=C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5HGR 1.68 Å NON-ENZYME: OTHER STRUCTURE OF ANABAENA (NOSTOC) SP. PCC 7120 ORANGE CAROTENOI BINDING CANTHAXANTHIN NOSTOC SP. (STRAIN PCC 7120 / UTEX 257ORGANISM_TAXID: 103690 CAROTENOID PHOTOPROTECTION CYANOBACTERIA CAROTENOID BINDIPROTEIN
Ref.: DIFFERENT FUNCTIONS OF THE PARALOGS TO THE N-TERMIN OF THE ORANGE CAROTENOID PROTEIN IN THE CYANOBACTER ANABAENA SP. PCC 7120. PLANT PHYSIOL. V. 171 1852 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5HGR - 45D C40 H52 O2 CC1=C(C(CC....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 5TUX - ECH C40 H54 O CC1=C(C(CC....
2 5TV0 - EQ3 C40 H54 O2 CC1=C(C(C[....
3 4XB5 - 45D C40 H52 O2 CC1=C(C(CC....
4 3MG3 - ECH C40 H54 O CC1=C(C(CC....
5 3MG1 - ECH C40 H54 O CC1=C(C(CC....
6 5TUW - EQ3 C40 H54 O2 CC1=C(C(C[....
7 5HGR - 45D C40 H52 O2 CC1=C(C(CC....
8 5UI2 - GLC FRU n/a n/a
9 6PQ1 - 45D C40 H52 O2 CC1=C(C(CC....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 5TUX - ECH C40 H54 O CC1=C(C(CC....
2 5TV0 - EQ3 C40 H54 O2 CC1=C(C(C[....
3 4XB5 - 45D C40 H52 O2 CC1=C(C(CC....
4 3MG3 - ECH C40 H54 O CC1=C(C(CC....
5 3MG1 - ECH C40 H54 O CC1=C(C(CC....
6 5TUW - EQ3 C40 H54 O2 CC1=C(C(C[....
7 5HGR - 45D C40 H52 O2 CC1=C(C(CC....
8 5UI2 - GLC FRU n/a n/a
9 6PQ1 - 45D C40 H52 O2 CC1=C(C(CC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 45D; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 45D 1 1
2 ECH 0.790323 0.857143
3 OXR 0.75 0.69697
4 EQ3 0.720588 0.806452
5 BCR 0.532258 0.678571
6 RET 0.455882 0.714286
7 AZE 0.447761 0.642857
8 REA 0.410959 0.677419
9 9CR 0.410959 0.677419
10 QVM 0.410959 0.677419
Similar Ligands (3D)
Ligand no: 1; Ligand: 45D; 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 : 5HGR; Ligand: 45D; 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: 5hgr.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5HGR; Ligand: 45D; 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: 5hgr.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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