Receptor
PDB id Resolution Class Description Source Keywords
6J95 2 Å EC: 1.14.-.- CRYSTAL STRUCTURE OF CYP97A3 IN COMPLEX WITH RETINAL ARABIDOPSIS THALIANA LUTEIN BIOSYNTHESIS PHOTOSYNTHESIS MONOOXYGENASE CAROTENOOXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR PLANT LUTEIN BIOSYNTHESIS FROM ALPHA-CAROTENE. PROC.NATL.ACAD.SCI.USA V. 117 14150 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:601;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
RET A:602;
 Valid;
 none;
 Kd = 0.23 uM
284.436 C20 H28 O CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6J95 2 Å EC: 1.14.-.- CRYSTAL STRUCTURE OF CYP97A3 IN COMPLEX WITH RETINAL ARABIDOPSIS THALIANA LUTEIN BIOSYNTHESIS PHOTOSYNTHESIS MONOOXYGENASE CAROTENOOXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR PLANT LUTEIN BIOSYNTHESIS FROM ALPHA-CAROTENE. PROC.NATL.ACAD.SCI.USA V. 117 14150 2020
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 6J95 Kd = 0.23 uM RET C20 H28 O CC1=C(C(CC....
2 6L8J - RET C20 H28 O CC1=C(C(CC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 6J95 Kd = 0.23 uM RET C20 H28 O CC1=C(C(CC....
2 6L8J - RET C20 H28 O CC1=C(C(CC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 6J95 Kd = 0.23 uM RET C20 H28 O CC1=C(C(CC....
2 6L8J - RET C20 H28 O CC1=C(C(CC....
3 6L8H - SOG C14 H28 O5 S CCCCCCCCS[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RET; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 RET 1 1
2 BCR 0.811321 0.863636
3 AZE 0.75 0.904762
4 REA 0.704918 0.84
5 9CR 0.704918 0.84
6 RNE 0.688525 0.655172
7 RTL 0.688525 0.740741
8 ECH 0.647059 0.84
9 ETR 0.641791 0.636364
10 QVM 0.464789 0.642857
11 45D 0.455882 0.714286
12 6KX 0.425926 0.952381
13 EQ3 0.404762 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: RET; Similar ligands found: 8
No: Ligand Similarity coefficient
1 R12 0.9311
2 OXR 0.9213
3 R13 0.8939
4 C9G 0.8696
5 2RB 0.8657
6 BOG 0.8641
7 LGS 0.8561
8 4BE 0.8545
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6J95; Ligand: RET; 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: 6j95.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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