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Structure of PDB 5fen Chain A Binding Site BS01

Receptor Information >5fen Chain A (length=133) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] TRDQNGTWEMESNENFEGYMKALDIDFATRKIAVRLTQTLVIDQDGDNFK TKCTSTFRNYDVDFTVGVEFDEYTKSLDNRHVKALVTWEGDVLVCVQKGE KENRGWKKWIEGDKLYLELTCGDQVCRQVFKKK

Ligand information Ligand ID RET InChI InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ InChIKey NCYCYZXNIZJOKI-OVSJKPMPSA-N SMILES Software SMILES CACTVS 3.370 CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C ACDLabs 12.01 O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C OpenEye OEToolkits 1.7.0 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C OpenEye OEToolkits 1.7.0 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C CACTVS 3.370 CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C Formula C20 H28 O Name RETINAL ChEMBL CHEMBL81379 DrugBank ZINC ZINC000004228262 PDB chain 5fen Chain A 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 5fen Crystal structure of the Q108K:K40L:T53C mutant of human Cellular Retinol Binding Protein II in complex with All-trans-Retinal after 24 hours of incubation at 1.55 Angstrom Resolution Resolution 1.55 Å Binding residue (original residue number in PDB) F16 M20 T51 C53 L77 K108 Binding residue (residue number reindexed from 1) F16 M20 T51 C53 L77 K108 Annotation score 4

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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