Structure of PDB 4zy2 Chain K Binding Site BS02

Receptor Information

>4zy2 Chain K (length=512) Species: 186763 (Plasmodium falciparum FcB1/Columbia)

SEVPQVVSLDPTSIPIEYNTPIHDIKVQVYDIKGGCNVEEGLTIFLVNNP
GKENGPVKISSKVNDKQVSEFLKDENMEKFNVKLGTSKHFYMFNDNKNSV
AVGYVGCGSVADLSEADMKRVVLSLVTMLHDNKLSKLTVVFEINVDKNLF
RFFLETLFYEYMTDERFKSTDEYIKHLGVYINNADTYKEEVEKARVYYFG
TYYASQLIAAPSNYCNPVSLSNAAVELAQKLNLEYKILGVKELEELKMGA
YLSVGKGSMYPNKFIHLTYKSKGDVKKKIALVGKGITFDSGGYNLKAAPG
SMIDLMKFDMSGCAAVLGCAYCVGTLKPENVEIHFLSAVCENMVSKNSYR
PGDIITASNGKTIEVGNTDAEGRLTLADALVYAEKLGVDYIVDIATLTGA
MLYSLGTSYAGVFGNNEELINKILQSSKTSNEPVWWLPIINEYRATLNSK
YADINQISSSVKASSIVASLFLKEFVQNTAWAHIDIAGVSWNFKARKPKG
FGVRLLTEFVLN

Ligand information

• Ligand ID: CO3
• InChI: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
• InChIKey: BVKZGUZCCUSVTD-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: C(=O)([O-])[O-]
  ACDLabs 10.04
  CACTVS 3.341: [O-]C([O-])=O
• Formula: C O3
• Name: CARBONATE ION
• DrugBank: DB14531
• PDB chain: 4zy2 Chain K Residue 1002

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4zy2 Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): A460 G462 R463 L487
• Binding residue (residue number reindexed from 1): A370 G372 R373 L397
• Annotation score: 3

Enzymatic activity

• Catalytic site (original residue number in PDB): K386 R463
• Catalytic site (residue number reindexed from 1): K296 R373
• 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

External links

• PDB: RCSB:4zy2, PDBe:4zy2, PDBj:4zy2
• PDBsum: 4zy2
• PubMed: 26807544
• UniProt: A0A0L7M119