Structure of PDB 8eyd Chain A Binding Site BS02

Receptor Information
>8eyd Chain A (length=888) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KIHYRKDYKPSGFIINQVTLNINIHDQETIVRSVLDMDISKHNVGEDLVF
DGVGLKINEISINNKKLVEGEEYTYDNEFLTIFSKFVPKSKFAFSSEVII
HPETNYALTGLYKSKNIIVSQCEATGFRRITFFIDRPDMMAKYDVTVTAD
KEKYPVLLSNGDKVNEFEIPGGRHGARFNDPPLKPCYLFAVVAGDLKHLS
ATYITKYTKKKVELYVFSEEKYVSKLQWALECLKKSMAFDEDYFGLEYDL
SRLNLVAVSDFNVGAMENKGLNIFNANSLLASKKNSIDFSYARILTVVGH
EYFHQYTGNRVTLRDWFQLTLKEGLTVHRENLFSEEMTKTVTTRLSHVDL
LRSVQFLEDSSPLSHPIRPESYVSMENFYTTTVYDKGSEVMRMYLTILGE
EYYKKGFDIYIKKNDGNTATCEDFNYAMEQAYKMKKADNSANLNQYLLWF
SQSGTPHVSFKYNYDAEKKQYSIHVNQYTKPDENQKEKKPLFIPISVGLI
NPENGKEMISQTTLELTKESDTFVFNNIAVKPIPSLFRGFSAPVYIEDQL
TDEERILLLKYDSDAFVRYNSCTNIYMKQILMNYNEFLKAKNEKLESFQL
TPVNAQFIDAIKYLLEDPHADAGFKSYIVSLPQDRYIINFVSNLDTDVLA
DTKEYIYKQIGDKLNDVYYKMFKSLEAKADDLTYFNDESHVDFDQMNMRT
LRNTLLSLLSKAQYPNILNEIIEHSKSPYPSNWLTSLSVSAYFDKYFELY
DKTYKLSKDDELLLQEWLKTVSRSDRKDIYEILKKLENEVLKDSKNPNDI
RAVYLPFTNNLRRFHDISGKGYKLIAEVITKTDKFNPMVATQLCEPFKLW
NKLDTKRQELMLNEMNTMLQEPQISNNLKEYLLRLTNK
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 chain8eyd Chain A Residue 1103 [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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PDB8eyd Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Resolution1.83 Å
Binding residue
(original residue number in PDB)		H496 H500 E519
Binding residue
(residue number reindexed from 1)		H300 H304 E323
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.11.-
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:8eyd, PDBe:8eyd, PDBj:8eyd
PDBsum8eyd
PubMed36634455
UniProtO96935|AMPN_PLAF7 Aminopeptidase N (Gene Name=M1AAP)

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