5Y1H

Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2,4-difluorobenzyl)ureido)-N-hydroxy-4-methylpentanamide

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	914	106291.5	1	UniProt (O96935) Pfam (PF17900) Pfam (PF01433) Pfam (PF11940) Pfam (PF17432) In PDB	Plasmodium falciparum	Pfa-M1
2	A	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
3	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
4	A	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
5	A	(2R)-2-[[2,4-bis(fluoranyl)phenyl]methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide	non-polymer		315.3	1	Chemie (E8C)
6		water	water		18.0	561	Chemie (HOH)

Sequence modifications

A: 195 - 1085 (UniProt: O96935)

PDB	External Database	Details
Met 172	-	expression tag
Gly 173	-	expression tag
Ser 174	-	expression tag
Ser 175	-	expression tag
His 176	-	expression tag
His 177	-	expression tag
His 178	-	expression tag
His 179	-	expression tag
His 180	-	expression tag
His 181	-	expression tag
Ser 182	-	expression tag
Ser 183	-	expression tag
Gly 184	-	expression tag
Leu 185	-	expression tag
Val 186	-	expression tag
Pro 187	-	expression tag
Arg 188	-	expression tag
Gly 189	-	expression tag
Ser 190	-	expression tag
His 191	-	expression tag
Met 192	-	expression tag
Ala 193	-	expression tag
Ser 194	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	106291.5
Non-Polymers*	Number of molecules	8
	Total formula weight	729.9
All*	Total formula weight	107021.4

*Water molecules are not included.