Structure of PDB 8qke Chain B

Receptor sequence

>8qkeB (length=336) Species: 5855 (Plasmodium vivax)

YKFNDEYRNLQWGLDLARLDETQDLINANRVSVTKICVIDSGIDYNHPDL
RNNIDVNVKELHGRKGVDDDSNGVVDDVYGANFVSNSGDPMDDNYHGTHV
SGIISAVGNNGIGIVGVDGHSKLVICKALDQHKLGRLGDMFKCIDYCISR
QAHMISGSFSFDEYSNIFSASVEHLRSLGILFFVSASNCAHDDIAKCDLA
VNHRYPPILSKTHNNVIAVANLKRDLDESYSLSVNSFYSNIYCQLAAPGT
NIYSTTPMNNYRKLNGTSMASPHVAAIASIVRSINPNLTYLQIVEILRNA
IVKLPSLTERVSWGGYVDILRAVNLAIDSKAAPYIK

3D structure

• PDB: 8qke Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1
• Chain: B
• Resolution: 1.504 Å

Enzymatic activity

• Enzyme Commision number: 3.4.21.62: subtilisin.

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	peptide	B	Y371 H372 L405 K409 G411 L413 M416 S434 F435 S436 N464 N546 G547 T548 S549	Y95 H96 L129 K133 G135 L137 M140 S158 F159 S160 N188 N265 G266 T267 S268
BS02	CA	B	D281 D325 V383 N386 I388 I390	D5 D49 V107 N110 I112 I114
BS03	CA	B	E336 R340 V343 D345 D352	E60 R64 V67 D69 D76
BS04	CA	B	E336 D344 D346 N348 V350 D353	E60 D68 D70 N72 V74 D77

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0008236 serine-type peptidase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:8qke, PDBe:8qke, PDBj:8qke
• PDBsum: 8qke
• PubMed: 38503166
• UniProt: E6Y8B9