Structure of PDB 4zy2 Chain F Binding Site BS03

Receptor Information
>4zy2 Chain F (length=512) Species: 186763 (Plasmodium falciparum FcB1/Columbia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEVPQVVSLDPTSIPIEYNTPIHDIKVQVYDIKGGCNVEEGLTIFLVNNP
KENGPVKISSKVNDKQVSEFLKDENMEKFNVKLGTSKHFYMFNDNKNSVA
VGYVGCGSVADLSEADMKRVVLSLVTMLHDNKLSKLTVVFEINVDKNLFR
FFLETLFYEYMTDERFKSTDEYIKHLGVYINNADTYKEEVEKARVYYFGT
YYASQLIAAPSNYCNPVSLSNAAVELAQKLNLEYKILGVKELEELKMGAY
LSVGKGSMYPNKFIHLTYKSKGDVKKKIALVGKGITFDSGGYNLKAAPGS
MIDLMKFDMSGCAAVLGCAYCVGTLKPENVEIHFLSAVCENMVSKNSYRP
GDIITASNGKTIEVGNTDAEGRLTLADALVYAEKLGVDYIVDIATLTGAM
LYSLGTSYAGVFGNNEELINKILQSSKTSNEPVWWLPIINEYRATLNSKY
ADINQISSSVKASSIVASLFLKEFVQNTAWAHIDIAGVSWNFKARKPKGF
GVRLLTEFVLND
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 chain4zy2 Chain F Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zy2 Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D379 D459 E461
Binding residue
(residue number reindexed from 1)		D288 D368 E370
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) K386 R463
Catalytic site (residue number reindexed from 1) K295 R372
Enzyme Commision number 3.4.11.1: leucyl aminopeptidase.
Gene Ontology
Molecular Function
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
GO:0070006 metalloaminopeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0019538 protein metabolic 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:4zy2, PDBe:4zy2, PDBj:4zy2
PDBsum4zy2
PubMed26807544
UniProtA0A0L7M119

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