Receptor
PDB id Resolution Class Description Source Keywords
5TV0 1.65 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE AND LIGHT INDUCED STRUCTURAL CHANGES IN OR CAROTENOID PROTEIN BOUND WITH 3 'OH ECHINENONE SYNECHOCYSTIS SP. (STRAIN PCC 6803 / KORGANISM_TAXID: 1111708 PHOTOPROTECTION PHOTORECEPTOR DYNAMIC CRYSTALLOGRAPHY CARBINDING 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
GOL A:401;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
EQ3 A:402;
Valid;
none;
submit data
566.856 C40 H54 O2 CC1=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 552 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 (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: EQ3; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 EQ3 1 1
2 45D 0.720588 0.806452
3 QVM 0.671233 0.862069
4 ECH 0.666667 0.8
5 3ON 0.628205 0.705882
6 OXR 0.61039 0.757576
7 BCR 0.461538 0.633333
8 RET 0.404762 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: EQ3; 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 : 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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