4R7M

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	CB, EA, EB, GA, HB... (H, D, I, E, J...)	ZINC ION	non-polymer		65.4	24	Chemie (ZN)
3	DB, FA, IB, JA, MB... (H, D, I, E, J...)	CARBONATE ION	non-polymer		60.0	12	Chemie (CO3)
4	AB, BA, CA, FB, MA... (G, C, H, E, A...)	PENTAETHYLENE GLYCOL	non-polymer		238.3	11	Chemie (1PE)
5	BB, BC, DA, GB, HA... (G, L, C, H, D...)	4-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide	non-polymer		351.4	12	Chemie (3MW)
6	AA, AC, LA, OB, TB... (C, L, E, J, K...)	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
7	WB (K)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
8	CC, DC, EC, FC, GC... (A, B, C, D, E...)	water	water		18.0	218	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	68
	Total formula weight	9973.9
All*	Total formula weight	714481.6

*Water molecules are not included.