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Structure of PDB 6e6m Chain C Binding Site BS01

Receptor Information >6e6m Chain C (length=135) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] VDFTGYWKMLVNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHMII RTLSTFRNYIMDFQVGKEFEEDLTGIDDRKCMTTVSWDGDKLQCVQKGEK EGRGWTQWIEGDELHLEMRVEGVVCKQVFKKVQHH

Ligand information Ligand ID 8CB InChI InChI=1S/C17H22O2/c1-10(2)13-6-5-11(3)7-14(13)17-15(18)8-12(4)9-16(17)19/h7-9,13-14,18-19H,1,5-6H2,2-4H3/t13-,14+/m0/s1 InChIKey GKVOVXWEBSQJPA-UONOGXRCSA-N SMILES Software SMILES ACDLabs 12.01 Oc2c(C1C(CCC(=C1)C)/C(C)=C)c(O)cc(c2)C OpenEye OEToolkits 2.0.6 Cc1cc(c(c(c1)O)C2C=C(CCC2C(=C)C)C)O CACTVS 3.385 CC(=C)[CH]1CCC(=C[CH]1c2c(O)cc(C)cc2O)C CACTVS 3.385 CC(=C)[C@@H]1CCC(=C[C@H]1c2c(O)cc(C)cc2O)C OpenEye OEToolkits 2.0.6 Cc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O Formula C17 H22 O2 Name (1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol; cannabidiorcin; CBDO ChEMBL DrugBank ZINC ZINC000013382979 PDB chain 6e6m Chain C Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 6e6m Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1. Resolution 1.55 Å Binding residue (original residue number in PDB) F16 A33 P38 S55 R58 Y60 Q128 Binding residue (residue number reindexed from 1) F15 A32 P37 S54 R57 Y59 Q127 Annotation score 1 Binding affinity MOAD: Ki=1662nM

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0005501 retinoid binding GO:0005504 fatty acid binding GO:0005515 protein binding GO:0008289 lipid binding GO:0016918 retinal binding GO:0019841 retinol binding GO:1904768 all-trans-retinol binding

	Biological Process
GO:0002138	retinoic acid biosynthetic process
GO:0006776	vitamin A metabolic process
GO:0015908	fatty acid transport
GO:0055088	lipid homeostasis

	Cellular Component
GO:0005634	nucleus
GO:0005654	nucleoplasm
GO:0005737	cytoplasm
GO:0005811	lipid droplet
GO:0005829	cytosol

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