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Structure of PDB 8w02 Chain B Binding Site BS01

Receptor Information >8w02 Chain B (length=133) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] TRDQNGTWEMESNENFEGYMKALDIDFATRKIAVRLTQTLVIDQDGDNFK VKSTSTFWNYDVDFTVGVEFDEYTKSLDNRHVKALVTWEGDVLVCVQKGE KENRGWKKWIEGDKLYLELTCGDQVCRQVFKKK

Ligand information Ligand ID A1AEQ InChI InChI=1S/C16H17NOS/c1-12(10-11-18)15-8-9-16(19-15)13-4-6-14(7-5-13)17(2)3/h4-11H,1-3H3/b12-10+ InChIKey LFXNQATVKSUQRE-ZRDIBKRKSA-N SMILES Software SMILES ACDLabs 12.01 C/C(=C\C=O)c1ccc(s1)c1ccc(cc1)N(C)C OpenEye OEToolkits 2.0.7 C/C(=C\C=O)/c1ccc(s1)c2ccc(cc2)N(C)C CACTVS 3.385 CN(C)c1ccc(cc1)c2sc(cc2)C(C)=CC=O CACTVS 3.385 CN(C)c1ccc(cc1)c2sc(cc2)\C(C)=C\C=O OpenEye OEToolkits 2.0.7 CC(=CC=O)c1ccc(s1)c2ccc(cc2)N(C)C Formula C16 H17 N O S Name (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal ChEMBL DrugBank ZINC PDB chain 8w02 Chain B 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 8w02 Regulation of Emission via a Protein-Bound Fluorophore Resolution 1.499 Å Binding residue (original residue number in PDB) V51 W58 Y60 L77 W106 K108 Binding residue (residue number reindexed from 1) V51 W58 Y60 L77 W106 K108 Annotation score 1

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0005501 retinoid binding GO:0005504 fatty acid binding GO:0008289 lipid binding GO:0016918 retinal binding GO:0019841 retinol binding

	Biological Process
GO:0006776	vitamin A metabolic process
GO:0008544	epidermis development
GO:0015908	fatty acid transport

	Cellular Component
GO:0005634	nucleus
GO:0005737	cytoplasm
GO:0005829	cytosol

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