8EZ2

Plasmodium falciparum M1 in complex with inhibitor 15ag

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	M1 family aminopeptidase	polymer	898	104834.0	1	UniProt (O96935) Pfam (PF17900) Pfam (PF01433) Pfam (PF11940) Pfam (PF17432) In PDB	Plasmodium falciparum (malaria parasite P. falciparum)	Pfa-M1
2	A	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
3	A	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
4	A	N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(3-fluorophenyl)glycinamide	non-polymer		396.2	1	Chemie (X68)
5	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
6	A	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
7		water	water		18.0	933	Chemie (HOH)

Sequence modifications

A: 195 - 1085 (UniProt: O96935)

PDB	External Database	Details
Met 194	-	initiating methionine
Gln 213	Asn 213	conflict
Gln 223	Asn 223	conflict
Pro 378	His 378	conflict
Gln 501	Asn 501	conflict
Gln 745	Asn 745	conflict
Gln 795	Asn 795	conflict
Gln 1069	Asn 1069	conflict
His 1086	-	expression tag
His 1087	-	expression tag
His 1088	-	expression tag
His 1089	-	expression tag
His 1090	-	expression tag
His 1091	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	104834.0
Non-Polymers*	Number of molecules	12
	Total formula weight	1219.1
All*	Total formula weight	106053.0

*Water molecules are not included.