Receptor
PDB id Resolution Class Description Source Keywords
5TUX 1.5 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE AND LIGHT INDUCED STRUCTURAL CHANGES IN OR CAROTENOID PROTEIN BOUND WITH ECHINENONE SYNECHOCYSTIS SP. (STRAIN PCC 6803 / KORGANISM_TAXID: 1111708 PHOTORECEPTORS PHOTOPROTECTION DYNAMIC CRYSTALLOGRAPHY CABINDING PROTEIN
Ref.: PHOTOACTIVATION MECHANISM OF A CAROTENOID-BASED PHOTORECEPTOR. PROC. NATL. ACAD. SCI. V. 114 6286 2017 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ECH A:401;
Valid;
none;
submit data
550.856 C40 H54 O CC1=C...
GOL A:402;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5TUX 1.5 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE AND LIGHT INDUCED STRUCTURAL CHANGES IN OR CAROTENOID PROTEIN BOUND WITH ECHINENONE SYNECHOCYSTIS SP. (STRAIN PCC 6803 / KORGANISM_TAXID: 1111708 PHOTORECEPTORS PHOTOPROTECTION DYNAMIC CRYSTALLOGRAPHY CABINDING PROTEIN
Ref.: PHOTOACTIVATION MECHANISM OF A CAROTENOID-BASED PHOTORECEPTOR. PROC. NATL. ACAD. SCI. V. 114 6286 2017 U.S.A.
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 544 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[....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 420 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
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 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
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ECH; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 ECH 1 1
2 45D 0.790323 0.857143
3 BCR 0.741935 0.8
4 EQ3 0.666667 0.8
5 RET 0.647059 0.84
6 AZE 0.641791 0.76
7 OXR 0.616438 0.6875
8 9CR 0.589041 0.724138
9 REA 0.589041 0.724138
10 RTL 0.575342 0.645161
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5TUX; Ligand: ECH; 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: 5tux.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
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