Structure of PDB 6ii7 Chain A Binding Site BS03

Receptor Information
>6ii7 Chain A (length=355) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
INYLTKDELDIDLSQMDKKERYKIWKRLPKCELHCHLDVCFSVDFFLNVI
RKYNIQPNMSDEEIIDYYLFSKPGKSLDEFVEKALRLTDIYIDYTVVEDL
AKHAVFNKYKEGVVLMEFRYSPSFMSFKHNLDKDLIHEAIVKGLNEAVAL
LEYKIQVGLLCTGDGGLSHERMKEAAEFCIKHKKDFVGYDHAGHEVDLKP
FKDIFDNIREEGISISVHAGEDVSIPNLNSLYTAINLLHVKRIGHGIRVS
ESQELIDLVKEKDILLEVCPISNVLLNNVKSMDTHPIRMLYDAGVKVSVN
SDDPGMFLTNITDNYEELYTHLNFTLADFMKMNLWAVQKSFVDPDIKNKI
ISKYF
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 chain6ii7 Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ii7 Crystal structure of Plasmodium falciparum adenosine deaminase reveals a novel binding pocket for inosine.
Resolution2.48 Å
Binding residue
(original residue number in PDB)		H46 H48 H230 D314
Binding residue
(residue number reindexed from 1)		H34 H36 H218 D302
Annotation score1
Enzymatic activity
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:6ii7, PDBe:6ii7, PDBj:6ii7
PDBsum6ii7
PubMed31002765
UniProtQ8IJA9|ADA_PLAF7 Adenosine deaminase (Gene Name=ADA)

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