Structure of PDB 4s2r Chain Q Binding Site BS01

Receptor Information
>4s2r Chain Q (length=612) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTALEKLAKLRSLFHSERVLALTSSKPMVAYLLPSTDAHHSEYLADYDFR
VKFLSGFSGSNAYVVVTDREALLWTDGRYFTQAGNQLDSNSWKLMKQGQP
DSITVVDWLVRELERGSVIGFDPTLSTFDAGSKTFKRLKAAGLQPVSIPG
NLVDEFWTDRPRLAGEPVVVLDVEDTGLTTSKKVENLREKLKQKKCDAAV
FTLLDDVMWLLNIRGSDIPYNPLAYSYLFVAMREIHVFIDNEKLDEKSRA
HFHKSNVSIHPYGEVYSWISNWLKAKEASKEPHMVYLTPETNYAIGSIIG
EENSMVDTSLVQTAKATKNDHEMQGMRNSHLRDSAALVEFLCWLEKELLS
GKRYTEIELADKIDHLRSLQDKYVTLSFDTISAVGDHAALPHYKPLGESG
NRKAAANQVFLLDSGAHYGDGTTDVTRTVWYTNPPKEFILHNTLVLKGHI
NLARAKFPDGIYGSRLDTLTRDALWKLGLDFEHGTGHGVGHYLNVHEGPI
GIGHTGGELHASQVLTIEPGFYAKEKYGIRIENCYETVEAVVMSKAQNFL
TFKSLTLVPIQTSIVDKSLLIEEEINWLNQYHARVLKEVGEHLQKRGKTD
ELKWLAEACKPI
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 chain4s2r Chain Q Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4s2r Crystal structure of X-prolyl aminopeptidase from Caenorhabditis elegans: A cytosolic enzyme with a di-nuclear active site.
Resolution1.949 Å
Binding residue
(original residue number in PDB)		D413 D424 E536
Binding residue
(residue number reindexed from 1)		D413 D424 E532
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.11.9: Xaa-Pro aminopeptidase.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0008270 zinc ion binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0070006 metalloaminopeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0051603 proteolysis involved in protein 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:4s2r, PDBe:4s2r, PDBj:4s2r
PDBsum4s2r
PubMed25905034
UniProtO44750|XPP_CAEEL Xaa-Pro aminopeptidase app-1 (Gene Name=app-1)

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