8EZ4

Plasmodium falciparum M17 in complex with inhibitor 9aa

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	527	58577.8	12	UniProt (Q8IL11) Pfam (PF00883)	Plasmodium falciparum (malaria parasite P. falciparum)
2	BB, BD, CA, CC, KA... (F, L, C, I, D...)	N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide	non-polymer		429.4	12	Chemie (X10) PubChem (166451141) PubChem (172456797)
3	CB, CD, DA, DC, MB... (F, L, C, I, G...)	SULFATE ION	non-polymer		96.1	13	Chemie (SO4)
4	DB, DD, EA, EB, EC... (F, L, C, I, D...)	PENTAETHYLENE GLYCOL	non-polymer		238.3	30	Chemie (1PE) PubChem (62551)
5	GD, HA, HB, HC, OA... (L, C, F, I, D...)	CARBONATE ION	non-polymer		60.0	12	Chemie (CO3) PubChem (19660)
6	AA, AB, AC, HD, IA... (B, E, H, L, C...)	ZINC ION	non-polymer		65.4	24	Chemie (ZN)
7	AD, BA, BC, KB, KC... (K, B, H, F, I...)	SODIUM ION	non-polymer		23.0	9	Chemie (NA) PubChem (923)
8	YB (H)	NONAETHYLENE GLYCOL	non-polymer		414.5	1	Chemie (2PE) PubChem (4867)
9	JD, KD, LD, MD, ND... (A, B, C, D, E...)	water	water		18.0	4701	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L: 85 - 605 (UniProt: Q8IL11)

PDB	External Database	Details
Gln 152	Asn 152	conflict
Gln 515	Asn 515	conflict
Gln 546	Asn 546	conflict
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	702933.3
Non-Polymers*	Number of molecules	101
	Total formula weight	16461.2
All*	Total formula weight	719394.5

*Water molecules are not included.