Structure of PDB 3f38 Chain A Binding Site BS01

Receptor Information
>3f38 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 ID2MY
InChIInChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
InChIKeyNXXYKOUNUYWIHA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cccc(c1O)C
ACDLabs 10.04Oc1c(cccc1C)C
CACTVS 3.341Cc1cccc(C)c1O
FormulaC8 H10 O
Name2,6-dimethylphenol
ChEMBLCHEMBL30106
DrugBank
ZINCZINC000001577167
PDB chain3f38 Chain A Residue 2001 [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]
PDB3f38 A unitary anesthetic binding site at high resolution.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		S27 Y28 R59
Binding residue
(residue number reindexed from 1)		S26 Y27 R58
Annotation score1
Binding affinityMOAD: Kd=2.4mM
PDBbind-CN: -logKd/Ki=2.62,Kd=2.4mM
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3f38, PDBe:3f38, PDBj:3f38
PDBsum3f38
PubMed19605349
UniProtP02791|FRIL_HORSE Ferritin light chain (Gene Name=FTL)

[Back to BioLiP]