Structure of PDB 4zy2 Chain A

Receptor sequence

>4zy2A (length=519) Species: 186763 (Plasmodium falciparum FcB1/Columbia)

ASEVPQVVSLDPTSIPIEYNTPIHDIKVQVYDIKGGCNVEEGLTIFLVNN
PGKENGPVKISSKVNDKQVSEFLKDENMEKFNVKLGTSKHFYMFNDNKNS
VAVGYVGCGSVADLSEADMKRVVLSLVTMLHDNKLSKLTVVFEINVDKNL
FRFFLETLFYEYMTDERFKSTDKNVNMEYIKHLGVYINNADTYKEEVEKA
RVYYFGTYYASQLIAAPSNYCNPVSLSNAAVELAQKLNLEYKILGVKELE
ELKMGAYLSVGKGSMYPNKFIHLTYKSKGDVKKKIALVGKGITFDSGGYN
LKAAPGSMIDLMKFDMSGCAAVLGCAYCVGTLKPENVEIHFLSAVCENMV
SKNSYRPGDIITASNGKTIEVGNTDAEGRLTLADALVYAEKLGVDYIVDI
ATLTGAMLYSLGTSYAGVFGNNEELINKILQSSKTSNEPVWWLPIINEYR
ATLNSKYADINQISSSVKASSIVASLFLKEFVQNTAWAHIDIAGVSWNFK
ARKPKGFGVRLLTEFVLND

3D structure

• PDB: 4zy2 Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
• Chain: A
• Resolution: 2.1 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): K386 R463
• Catalytic site (residue number reindexed from 1): K302 R379
• Enzyme Commision number: 3.4.11.1: leucyl aminopeptidase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ZN	A	K374 D379 D399 E461	K290 D295 D315 E377
BS02	CO3	A	A460 G462 R463 L487	A376 G378 R379 L403
BS03	ZN	A	D379 D459 E461	D295 D375 E377
BS04	4TL	A	K374 D379 M392 D459 E461 L487 T488 G489 L492 A577 F583	K290 D295 M308 D375 E377 L403 T404 G405 L408 A493 F499	MOAD: Ki=0.06uM PDBbind-CN: -logKd/Ki=7.22,Ki=0.060uM

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