Structure of PDB 3qqt Chain B Binding Site BS01

Receptor Information
>3qqt Chain B (length=70) Species: 51453 (Trichoderma reesei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVCPTGLFSNPLCCATNVLDLIGVDCKTPTIAVDTGAIFQAHCASKGSKP
LCCVAPVADQALLCQKAIGT
Ligand information
Ligand IDSDS
InChIInChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)
InChIKeyMOTZDAYCYVMXPC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCCCO[S](O)(=O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCOS(=O)(=O)O
ACDLabs 10.04O=S(=O)(OCCCCCCCCCCCC)O
FormulaC12 H26 O4 S
NameDODECYL SULFATE
ChEMBLCHEMBL1204779
DrugBankDB03967
ZINCZINC000001532179
PDB chain3qqt Chain B Residue 72 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qqt Amphiphilic nanotubes in the crystal structure of a biosurfactant protein hydrophobin HFBII.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		P4 T5 G6 L7 F8
Binding residue
(residue number reindexed from 1)		P4 T5 G6 L7 F8
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0005576 extracellular region
GO:0031160 spore wall

View graph for
Cellular Component
External links
PDB RCSB:3qqt, PDBe:3qqt, PDBj:3qqt
PDBsum3qqt
PubMed21808803
UniProtP79073|HYP2_HYPJE Hydrophobin-2 (Gene Name=hfb2)

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