4R5T

Structure of the m1 alanylaminopeptidase 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 (A)	M1 family aminopeptidase	polymer	896	104598.6	1	UniProt (O96935) Pfam (PF17900) Pfam (PF01433) Pfam (PF11940) Pfam (PF17432)	Plasmodium falciparum FcB1/Columbia	Pfa-M1
2	B (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	C, D (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
4	E, F, G, H, I... (A)	GLYCEROL	non-polymer		92.1	8	Chemie (GOL)
5	M (A)	tert-butyl {(1S)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}carbamate	non-polymer		332.4	1	Chemie (R5T)
6	N (A)	water	water		18.0	479	Chemie (HOH)

Sequence modifications

A: 196 - 1084 (UniProt: O96935)

PDB	External Database	Details
His 189	-	expression tag
His 190	-	expression tag
His 191	-	expression tag
His 192	-	expression tag
His 193	-	expression tag
His 194	-	expression tag
His 195	-	expression tag
Gln 213	Asn 213	engineered mutation
Gln 223	Asn 223	engineered mutation
Pro 378	His 378	engineered mutation
Gln 501	Asn 501	engineered mutation
Gln 745	Asn 745	engineered mutation
Gln 795	Asn 795	engineered mutation
Gln 1069	Asn 1069	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	104598.6
Non-Polymers*	Number of molecules	12
	Total formula weight	1290.8
All*	Total formula weight	105889.4

*Water molecules are not included.