Structure of PDB 3ewd Chain A Binding Site BS01

Receptor Information
>3ewd Chain A (length=364) Species: 5855 (Plasmodium vivax) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PIDFLKKEELKNIDLSQMSKKERYKIWKRIPKCELHCHLDLCFSADFFVS
CIRKYNLQPNLSDEEVLDYYLFAKGGKSLGEFVEKAIKVADIFHDYEVIE
DLAKHAVFNKYKEGVVLMEFRYSPTFVAFKYNLDIELIHQAIVKGIKEVV
ELLDHKIHVALMCIGTGHEAANIKASADFCLKHKADFVGFDHGGHEVDLK
EYKEIFDYVRESGVPLSVHAGEDVTLPNLNTLYSAIQVLKVERIGHGIRV
AESQELIDMVKEKNILLEVCPISNVLLKNAKSMDTHPIRQLYDAGVKVSV
NSDDPGMFLTNINDDYEELYTHLNFTLEDFMKMNEWALEKSFMDSNIKDK
IKNLYFKGEFEAYV
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 chain3ewd Chain A Residue 371 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ewd Structural and metabolic specificity of methylthiocoformycin for malarial adenosine deaminases.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H42 H44 H225 D309
Binding residue
(residue number reindexed from 1)		H36 H38 H219 D303
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H42 H44 H225 E228 H252 D309
Catalytic site (residue number reindexed from 1) H36 H38 H219 E222 H246 D303
Enzyme Commision number 3.5.4.31: S-methyl-5'-thioadenosine deaminase.
3.5.4.4: adenosine deaminase.
Gene Ontology
Molecular Function
GO:0004000 adenosine deaminase activity
GO:0016787 hydrolase activity
GO:0019239 deaminase activity
GO:0046872 metal ion binding
GO:0046936 2'-deoxyadenosine deaminase activity
GO:0090614 5'-methylthioadenosine deaminase activity
Biological Process
GO:0006154 adenosine catabolic process
GO:0006166 purine ribonucleoside salvage
GO:0009168 purine ribonucleoside monophosphate biosynthetic process
GO:0043103 hypoxanthine salvage
GO:0046103 inosine biosynthetic process
GO:0060169 negative regulation of adenosine receptor signaling pathway
Cellular Component
GO:0005829 cytosol
GO:0009897 external side of plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ewd, PDBe:3ewd, PDBj:3ewd
PDBsum3ewd
PubMed19728741
UniProtA5KE01|ADA_PLAVS Adenosine deaminase (Gene Name=ADA)

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