Structure of PDB 4rqu Chain A Binding Site BS02

Receptor Information
>4rqu Chain A (length=375) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQIIRCKAAVAWEAGKPLVIEEVEVAPPQKHEVRIKILFTSLCHTDVYFW
EAKGQTPLFPRIFGHEAGGIVESVGEGVTDLQPGDHVLPIFTGECGECRH
CHSEESNMCDLLRINTERGGMIHDGESRFSINGKPIYHFLGTSTFSEYTV
VHSGQVAKINPDAPLDKVCIVSCGLSTGLGATLNVAKPKKGQSVAIFGLG
AVGLGAAEGARIAGASRIIGVDFNSKRFDQAKEFGVTECVNPKDHDKPIQ
QVIAEMTDGGVDRSVECTGSVQAMIQAFECVHDGWGVAVLVGVPSKDDAF
KTHPMNFLNERTLKGTFFGNYKPKTDIPGVVEKYMNKELELEKFITHTVP
FSEINKAFDYMLKGESIRCIITMGA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4rqu Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rqu Structural insight into the conformational change of alcohol dehydrogenase from arabidopsis Thalianal during coenzyme binding.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		C47 H69 C177
Binding residue
(residue number reindexed from 1)		C43 H65 C173
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C47 H48 T49 Y52 H69 E70 C99 C102 C105 C113 R117 C177 T181 R372
Catalytic site (residue number reindexed from 1) C43 H44 T45 Y48 H65 E66 C95 C98 C101 C109 R113 C173 T177 R368
Enzyme Commision number 1.1.1.1: alcohol dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004022 alcohol dehydrogenase (NAD+) activity
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0001666 response to hypoxia
GO:0006970 response to osmotic stress
GO:0009409 response to cold
GO:0009413 response to flooding
GO:0009414 response to water deprivation
GO:0009651 response to salt stress
GO:0009737 response to abscisic acid
GO:0009744 response to sucrose
GO:0031000 response to caffeine
GO:0032355 response to estradiol
GO:0042542 response to hydrogen peroxide
GO:0071456 cellular response to hypoxia
GO:1900039 positive regulation of cellular response to hypoxia
Cellular Component
GO:0005737 cytoplasm
GO:0005794 Golgi apparatus
GO:0005829 cytosol
GO:0005886 plasma membrane

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4rqu, PDBe:4rqu, PDBj:4rqu
PDBsum4rqu
PubMed25447145
UniProtP06525|ADH1_ARATH Alcohol dehydrogenase class-P (Gene Name=ADH1)

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