Structure of PDB 8ez2 Chain A Binding Site BS02

Receptor Information
>8ez2 Chain A (length=890) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPKIHYRKDYKPSGFIINQVTLNINIHDQETIVRSVLDMDISKHNVGEDL
VFDGVGLKINEISINNKKLVEGEEYTYDNEFLTIFSKFVPKSKFAFSSEV
IIHPETNYALTGLYKSKNIIVSQCEATGFRRITFFIDRPDMMAKYDVTVT
ADKEKYPVLLSNGDKVNEFEIPGGRHGARFNDPPLKPCYLFAVVAGDLKH
LSATYITKYTKKKVELYVFSEEKYVSKLQWALECLKKSMAFDEDYFGLEY
DLSRLNLVAVSDFNVGAMENKGLNIFNANSLLASKKNSIDFSYARILTVV
GHEYFHQYTGNRVTLRDWFQLTLKEGLTVHRENLFSEEMTKTVTTRLSHV
DLLRSVQFLEDSSPLSHPIRPESYVSMENFYTTTVYDKGSEVMRMYLTIL
GEEYYKKGFDIYIKKNDGNTATCEDFNYAMEQAYKMKKADNSANLNQYLL
WFSQSGTPHVSFKYNYDAEKKQYSIHVNQYTKPDENQKEKKPLFIPISVG
LINPENGKEMISQTTLELTKESDTFVFNNIAVKPIPSLFRGFSAPVYIED
QLTDEERILLLKYDSDAFVRYNSCTNIYMKQILMNYNEFLKAKNEKLESF
QLTPVNAQFIDAIKYLLEDPHADAGFKSYIVSLPQDRYIINFVSNLDTDV
LADTKEYIYKQIGDKLNDVYYKMFKSLEAKADDLTYFNDESHVDFDQMNM
RTLRNTLLSLLSKAQYPNILNEIIEHSKSPYPSNWLTSLSVSAYFDKYFE
LYDKTYKLSKDDELLLQEWLKTVSRSDRKDIYEILKKLENEVLKDSKNPN
DIRAVYLPFTNNLRRFHDISGKGYKLIAEVITKTDKFNPMVATQLCEPFK
LWNKLDTKRQELMLNEMNTMLQEPQISNNLKEYLLRLTNK
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 chain8ez2 Chain A Residue 1110 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ez2 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)
H302 H306 E325
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:8ez2, PDBe:8ez2, PDBj:8ez2
PDBsum8ez2
PubMed36634455
UniProtO96935|AMPN_PLAF7 Aminopeptidase N (Gene Name=M1AAP)

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