3QVI

Crystal structure of KNI-10395 bound histo-aspartic protease (HAP) from Plasmodium falciparum

Summary for 3QVI

• Entry DOI: 10.2210/pdb3qvi/pdb
• Related: 3QVC
• Related PRD ID: PRD_001055
• Descriptor: Histo-aspartic protease, (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, ... (8 entities in total)
• Functional Keywords: histo-aspartic protease, hap, plasmepsin, aspartic protease, malaria, kni, kni-10395, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Plasmodium falciparum
• Total number of polymer chains: 4
• Total formula weight: 210916.57

Authors

Bhaumik, P.,Gustchina, A.,Wlodawer, A. (deposition date: 2011-02-25, release date: 2011-10-12, Last modification date: 2013-09-04)

• Primary citation: Bhaumik, P.,Xiao, H.,Hidaka, K.,Gustchina, A.,Kiso, Y.,Yada, R.Y.,Wlodawer, A.; Structural insights into the activation and inhibition of histo-aspartic protease from Plasmodium falciparum.; Biochemistry, 50:8862-8879, 2011; PubMed: 21928835; DOI: 10.1021/bi201118z

Experimental method

X-RAY DIFFRACTION (2.5 Å)