Structure of PDB 2ra6 Chain C Binding Site BS02

Receptor Information
>2ra6 Chain C (length=143) Species: 9337 (Trichosurus vulpecula) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSRHWHTVVLASSDRSLIEEEGPFRNFIQNITVESGNLNGFFLTRKNGQC
IPLYLTAFKTEEARQFKLNYYGTNDVYYESSKPNEYAKFIFYNYHDGKVN
VVANLFGRTPNLSNEIKKRFEEDFMNRGFRRENILDISEVDHC
Ligand information
Ligand IDETY
InChIInChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
InChIKeyHXDOZKJGKXYMEW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCc1ccc(O)cc1
ACDLabs 10.04Oc1ccc(cc1)CC
OpenEye OEToolkits 1.5.0CCc1ccc(cc1)O
FormulaC8 H10 O
Name4-ethylphenol
ChEMBLCHEMBL108475
DrugBank
ZINCZINC000001690956
PDB chain2ra6 Chain C Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ra6 Three-dimensional structure and ligand binding properties of trichosurin, a metatherian lipocalin from the milk whey of the common brushtail possum Trichosurus vulpecula
Resolution1.5 Å
Binding residue
(original residue number in PDB)		L61 G63 L78 T79 A80 F112 F114 F129
Binding residue
(residue number reindexed from 1)		L38 G40 L55 T56 A57 F89 F91 F106
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0036094 small molecule binding
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Molecular Function
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Cellular Component
External links
PDB RCSB:2ra6, PDBe:2ra6, PDBj:2ra6
PDBsum2ra6
PubMed17685895
UniProtQ29147|TRIC_TRIVU Trichosurin

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