4R6T

Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	M17 leucyl aminopeptidase	polymer	528	58709.0	12	UniProt (Q8IL11) Pfam (PF00883)	Plasmodium falciparum 3D7
2	AB, CB, CC, DA, EC... (F, J, C, G, K...)	ZINC ION	non-polymer		65.4	24	Chemie (ZN)
3	BB, DC, EA, JB, LC... (F, J, C, G, K...)	CARBONATE ION	non-polymer		60.0	12	Chemie (CO3)
4	DB, GA, HA, HB, IA... (F, C, J, G, K...)	SULFATE ION	non-polymer		96.1	23	Chemie (SO4)
5	AA, EB, FC, JA, NB... (B, F, J, C, G...)	tert-butyl {(1S)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}carbamate	non-polymer		332.4	12	Chemie (R5T)
6	AC, BA, BC, CA, FB... (I, B, F, J, C...)	PENTAETHYLENE GLYCOL	non-polymer		238.3	20	Chemie (1PE)
7	QB (G)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
8	AD, BD, CD, DD, ED... (A, B, C, D, E...)	water	water		18.0	1691	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L: 84 - 605 (UniProt: Q8IL11)

PDB	External Database	Details
Gln 152	Asn 152	engineered mutation
Gln 515	Asn 515	engineered mutation
Gln 546	Asn 546	engineered mutation
His 606	-	expression tag
His 607	-	expression tag
His 608	-	expression tag
His 609	-	expression tag
His 610	-	expression tag
His 611	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	704507.7
Non-Polymers*	Number of molecules	92
	Total formula weight	13331.3
All*	Total formula weight	717839.0

*Water molecules are not included.