Structure of PDB 4cku Chain A

Receptor sequence
>4ckuA (length=323) Species: 5833 (Plasmodium falciparum) [Search protein sequence]
NDNIELVDFQNIMFYGDAEVGDNQQPFTFILDTGSANLWVPSVKCTTAGC
LTKHLYDSSKSRTYEKDGTKVEMNYVSGTVSGFFSKDLVTVGNLSLPYKF
IEVIDTNGFEPTYTASTFDGILGLGWKDLSIGSVDPIVVELKNQNKIENA
LFTFYLPVHDKHTGFLTIGGIEERFYEGPLTYEKLNHDLYWQITLDAHVG
NISLEKANCIVDSGTSAITVPTDFLNKMLQNLDVIKVPFLPFYVTLCNNS
KLPTFEFTSENGKYTLEPEYYLQHIPGLCMLNIIGLDFPVPTFILGDPFM
RKYFTVFDYDNHSVGIALAKKNL
3D structure
PDB4cku Plasmepsin Inhibitory Activity and Structure-Guided Optimization of a Potent Hydroxyethylamine-Based Antimalarial Hit.
ChainA
Resolution1.85 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D34 S37 N39 W41 Y77 D214 T217
Catalytic site (residue number reindexed from 1) D32 S35 N37 W39 Y75 D212 T215
Enzyme Commision number 3.4.23.39: plasmepsin II.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 P2F A I32 D34 G36 Y77 V78 S79 F111 I123 Y192 D214 G216 T217 S218 I290 I300 I30 D32 G34 Y75 V76 S77 F109 I121 Y190 D212 G214 T215 S216 I284 I294 MOAD: ic50=0.15uM
PDBbind-CN: -logKd/Ki=6.82,IC50=0.15uM
BindingDB: IC50=150nM
Gene Ontology
Molecular Function
GO:0004190 aspartic-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4cku, PDBe:4cku, PDBj:4cku
PDBsum4cku
PubMed24900843
UniProtP46925|PLM2_PLAFX Plasmepsin II (Gene Name=PMII)

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