Structure of PDB 4eme Chain D Binding Site BS01

Receptor Information
>4eme Chain D (length=469) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDKKAREYAQDALKFIQRSGSNFLACKNLKERLENNGFINLSEGETWNLN
KNEGYVLCKENRNICGFFVGKNFNIDTGSILISIGHIDSCALKISPNNNV
IKKKIHQINVECYGSGLWHTWFDRSLGLSGQVLYKKGNKLVEKLIQINKS
VLFLPSLAIHLQNVKINYENHIKPIISTTLFNQLNKCNTDNSYPLLYLLS
KELNCKEEDILDFELCLMDTQEPCFTGVYEEFIEGARFDNLLGSFCVFEG
FIELVNSIKNHTSDNIHNNLYISIGYDHEEIGSLSEVGARSYCTKNFIDR
IISSVFKKEIHEKNLSVQEIYGNLVNRSFILNVDMAHCSHPNYPETVQDN
HQLFFHEGIAIKYNTNKNYVTSPLHASLIKRTFELYYNKYKQQIKYQNFM
VKNDTPCGSTVGSMVAANLSMPGIDIGIPQLAMHSIREIAAVHDVFFLIK
GVFAFYTYYNQVLSTCVHD
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 chain4eme Chain D Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4eme X-ray crystal structure and specificity of the Plasmodium falciparum malaria aminopeptidase PfM18AAP.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		H87 D325 D435
Binding residue
(residue number reindexed from 1)		H86 D239 D334
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.11.21: aspartyl aminopeptidase.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
GO:0070006 metalloaminopeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0043171 peptide catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4eme, PDBe:4eme, PDBj:4eme
PDBsum4eme
PubMed22709581
UniProtQ8I2J3|DNPEP_PLAF7 Aspartyl aminopeptidase (Gene Name=M18AAP)

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