Receptor
PDB id Resolution Class Description Source Keywords
6L8H 2 Å EC: 1.14.14.158 CRYSTAL STRUCTURE OF CYP97C1 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
GOL B:602;
C:602;
D:602;
C:604;
A:602;
B:603;
A:603;
D:604;
C:603;
D:603;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
SOG D:605;
C:605;
A:604;
B:604;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
308.434 C14 H28 O5 S CCCCC...
HEM D:601;
B:601;
C:601;
A:601;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6L8H 2 Å EC: 1.14.14.158 CRYSTAL STRUCTURE OF CYP97C1 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 (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6L8H - SOG C14 H28 O5 S CCCCCCCCS[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6L8H - SOG C14 H28 O5 S CCCCCCCCS[....
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: SOG; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 SOG 1 1
2 HTG 0.977273 1
3 10M 0.634921 0.911111
4 PTQ 0.47541 0.744186
5 MSX MAN 0.457627 0.75
6 HSJ 0.45 0.883721
7 BNG 0.45 0.883721
8 BOG 0.45 0.883721
9 B7G 0.433333 0.883721
10 KGM 0.433333 0.883721
11 AFO 0.423729 0.8
12 CQX 0.41791 0.863636
13 BHG 0.416667 0.860465
14 JZR 0.416667 0.860465
15 HEX GLC 0.416667 0.860465
16 IPT 0.415094 0.72093
17 YIO GAL 0.411765 0.744186
18 U1Y BGC 0.40625 0.717391
Similar Ligands (3D)
Ligand no: 1; Ligand: SOG; Similar ligands found: 3
No: Ligand Similarity coefficient
1 NND 0.9188
2 UQ2 0.8621
3 OXR 0.8586
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6L8H; Ligand: SOG; 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: 6l8h.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6L8H; Ligand: SOG; 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: 6l8h.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6L8H; Ligand: SOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6l8h.bio4) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6L8H; Ligand: SOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 6l8h.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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