Structure of PDB 3kqx Chain I Binding Site BS01

Receptor Information
>3kqx Chain I (length=515) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEVPQVVSLDPTSIPIEYNTPIHDIKVQVYDIKGGCNVEEGLTIFLVNNP
GKENGPVKISSKVNDKQVSEFLKDENMEKFNVKLGTSKHFYMFNDNKNSV
AVGYVGCGSVADLSEADMKRVVLSLVTMLHDNKLSKLTVVFEINVDKNLF
RFFLETLFYEYMTDERFKSTDKNEYIKHLGVYINNADTYKEEVEKARVYY
FGTYYASQLIAAPSNYCNPVSLSNAAVELAQKLNLEYKILGVKELEELKM
GAYLSVGKGSMYPNKFIHLTYKSKGDVKKKIALVGKGITFDSGGYNLKAA
PGSMIDLMKFDMSGCAAVLGCAYCVGTLKPENVEIHFLSAVCENMVSKNS
YRPGDIITASNGKTIEVGNTDAEGRLTLADALVYAEKLGVDYIVDIATLT
GAMLYSLGTSYAGVFGNNEELINKILQSSKTSNEPVWWLPIINEYRATLN
SKYADINQISSSVKASSIVASLFLKEFVQNTAWAHIDIAGVSWNFKARKP
KGFGVRLLTEFVLND
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 chain3kqx Chain I Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3kqx Structure of the Plasmodium falciparum M17 aminopeptidase and significance for the design of drugs targeting the neutral exopeptidases
Resolution2.01 Å
Binding residue
(original residue number in PDB)		K374 D379 D399 E461
Binding residue
(residue number reindexed from 1)		K286 D291 D311 E373
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K386 R463
Catalytic site (residue number reindexed from 1) K298 R375
Enzyme Commision number 3.4.11.1: leucyl aminopeptidase.
3.4.13.-
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:3kqx, PDBe:3kqx, PDBj:3kqx
PDBsum3kqx
PubMed20133789
UniProtQ8IL11|AMPL_PLAF7 Leucine aminopeptidase (Gene Name=LAP)

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