Structure of PDB 5jr6 Chain B Binding Site BS01

Receptor Information
>5jr6 Chain B (length=545) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VYILINSDEHNSEIINEKDKKIADGILIVRISRIDNRDEIFETIIAFDGK
NTSVVFYEKLRKALLNAYPKIVEKIFLVLEKSLVYPVNNKTLYIHDRKYN
GACAGEKIDKLKQSLMYDIKNVDNLLLSELDEIAYLLNLRGYDYQYSPLF
YSYLLFQFDRQDFSKIVFFTTVKNLPADVKNLLEINKVIVKEYEEIVPYL
RDVVIPSIDFKKYDISLSPYINLMIYKLFDRKNVLLQNSPVVKMKAVKND
VEIDNMKQAHILDGLALLQFFHWCEQKRKTKELFNETEMSLRHKVDYFRS
TKKNFIFPSFSTISASGPNAAVIHYECDKTNATIKPAIYLLDSGGQYLHG
TTDVTRTTHFGEPTAEEKRIYTLVLKGHLRLRKVIFASYTNSSALDFIAR
ENLFNNFMDYNHGTGHGVGLTLNVHEGGCSIGPVGGAPLKKNMVLSNEPG
YYMKDKFGVRIENMQYVISKEITDTTEYLSFDDLTMYPYEKKLLDFSLLT
NQEIKELNEYHTTIRNTLLPLVKQSPQEYGESVEKYLIEITEPIA
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain5jr6 Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5jr6 Structure and substrate fingerprint of aminopeptidase P from Plasmodium falciparum.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D581 H644 S674 E676 E690
Binding residue
(residue number reindexed from 1)		D353 H416 S446 E448 E462
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.11.9: Xaa-Pro aminopeptidase.
Gene Ontology
Molecular Function
GO:0070006 metalloaminopeptidase activity

View graph for
Molecular Function
External links
PDB RCSB:5jr6, PDBe:5jr6, PDBj:5jr6
PDBsum5jr6
PubMed27462122
UniProtA0A144A2H0|AMPP_PLAF7 Aminopeptidase P (Gene Name=APP)

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