Structure of PDB 3f9d Chain A Binding Site BS01

Receptor Information
>3f9d Chain A (length=137) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTF
YIKESTTVRTTEINFKVGEEFEEQTVDGRPCKSLVKWESENKMVCEQKLL
KGEGPKTSWTLELTNDGELILTMTADDVVCTKVYVRE
Ligand information
Ligand IDLSR
InChIInChI=1S/C15H24/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h6,9-10H,7-8,11H2,1-5H3/b10-9+,12-6+
InChIKeyKUEVAPFABUUVHS-AYCKBHPDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C
CACTVS 3.341C\C=C(C)\C=C\C1=C(C)CCCC1(C)C
CACTVS 3.341CC=C(C)C=CC1=C(C)CCCC1(C)C
OpenEye OEToolkits 1.5.0CC=C(C)C=CC1=C(CCCC1(C)C)C
ACDLabs 10.04C(/C1=C(CCCC1(C)C)C)=C\C(=C\C)C
FormulaC15 H24
Name1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene
ChEMBL
DrugBankDB08127
ZINCZINC000058639152
PDB chain3f9d Chain A Residue 138 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB3f9d Protein engineering: wavelength regulation mechanism investigated in a rhodopsin mimic
Resolution2.0 Å
Binding residue
(original residue number in PDB)		M123 K132
Binding residue
(residue number reindexed from 1)		M123 K132
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001972 retinoic acid binding
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:0030332 cyclin binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0007165 signal transduction
GO:0008544 epidermis development
GO:0015908 fatty acid transport
GO:0035115 embryonic forelimb morphogenesis
GO:0042573 retinoic acid metabolic process
GO:0048672 positive regulation of collateral sprouting
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005829 cytosol
GO:0070062 extracellular exosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3f9d, PDBe:3f9d, PDBj:3f9d
PDBsum3f9d
PubMed
UniProtP29373|RABP2_HUMAN Cellular retinoic acid-binding protein 2 (Gene Name=CRABP2)

[Back to BioLiP]