Structure of PDB 3kr4 Chain H Binding Site BS04

Receptor Information

>3kr4 Chain H (length=509) Species: 36329 (Plasmodium falciparum 3D7)

SEVPQVVSLDPTSIPIEYNTPIHDIKVQVYDIKGGCNVEEGLTIFLVNNP
KENGPVKISSKVNDKQVSEFLKDENMEKFNVKLGTSKHFYMFNDNKNSVA
VGYVGCGSVADLSEADMKRVVLSLVTMLHDNKLSKLTVVFEINVDKNLFR
FFLETLFYEYMTDERFKSYIKHLGVYINNADTYKEEVEKARVYYFGTYYA
SQLIAAPSNYCNPVSLSNAAVELAQKLNLEYKILGVKELEELKMGAYLSV
GKGSMYPNKFIHLTYKSKGDVKKKIALVGKGITFDSGGYNLKAAPGSMID
LMKFDMSGCAAVLGCAYCVGTLKPENVEIHFLSAVCENMVSKNSYRPGDI
ITASNGKTIEVGNTDAEGRLTLADALVYAEKLGVDYIVDIATLTGAMLYS
LGTSYAGVFGNNEELINKILQSSKTSNEPVWWLPIINEYRATLNSKYADI
NQISSSVKASSIVASLFLKEFVQNTAWAHIDIAGVSWNFKARKPKGFGVR
LLTEFVLND

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3kr4 Chain H Residue 1004

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3kr4 Structure of the Plasmodium falciparum M17 aminopeptidase and significance for the design of drugs targeting the neutral exopeptidases
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D379 D459 E461
• Binding residue (residue number reindexed from 1): D285 D365 E367
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K386 R463
• Catalytic site (residue number reindexed from 1): K292 R369
• 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

External links

• PDB: RCSB:3kr4, PDBe:3kr4, PDBj:3kr4
• PDBsum: 3kr4
• PubMed: 20133789
• UniProt: Q8IL11|AMPL_PLAF7 Leucine aminopeptidase (Gene Name=LAP)