Structure of PDB 3f35 Chain A Binding Site BS01

Receptor Information
>3f35 Chain A (length=168) Species: 9796 (Equus caballus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHFF
RELAEEKREGAERLLKMQNQRGGRALFQDLQKPSQDEWGTTLDAMKAAIV
LEKSLNQALLDLHALGSAQADPHLCDFLESHFLDEEVKLIKKMGDHLTNI
QRLVQAGLGEYLFERLTL
Ligand information
Ligand IDDIE
InChIInChI=1S/C10H14O/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7,11H,3-4H2,1-2H3
InChIKeyMETWAQRCMRWDAW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCc1cccc(CC)c1O
ACDLabs 10.04Oc1c(cccc1CC)CC
OpenEye OEToolkits 1.5.0CCc1cccc(c1O)CC
FormulaC10 H14 O
Name2,6-diethylphenol
ChEMBLCHEMBL30014
DrugBank
ZINCZINC000002004532
PDB chain3f35 Chain A Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3f35 A unitary anesthetic binding site at high resolution.
Resolution1.92 Å
Binding residue
(original residue number in PDB)		S27 R59
Binding residue
(residue number reindexed from 1)		S26 R58
Annotation score1
Binding affinityMOAD: Kd=0.69mM
PDBbind-CN: -logKd/Ki=3.16,Kd=0.69mM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0008198 ferrous iron binding
GO:0008199 ferric iron binding
GO:0046872 metal ion binding
Biological Process
GO:0006826 iron ion transport
GO:0006879 intracellular iron ion homeostasis
GO:0006880 intracellular sequestering of iron ion
Cellular Component
GO:0005737 cytoplasm
GO:0005764 lysosome
GO:0005776 autophagosome
GO:0031410 cytoplasmic vesicle
GO:0044754 autolysosome
GO:0070288 ferritin complex

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Biological Process
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Cellular Component
External links
PDB RCSB:3f35, PDBe:3f35, PDBj:3f35
PDBsum3f35
PubMed19605349
UniProtP02791|FRIL_HORSE Ferritin light chain (Gene Name=FTL)

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