4K5N

Phosphonic Arginine Mimetics as Inhibitors of the M1 Aminopeptidases from Plasmodium falciparum

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	895	104460.5	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, H (A)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
4	E, F (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	G (A)	[(R)-amino(4-carbamimidamidophenyl)methyl]phosphonic acid	non-polymer		244.2	1	Chemie (1OU)
6	I (A)	water	water		18.0	1022	Chemie (HOH)

Sequence modifications

A: 196 - 1084 (UniProt: O96935)

PDB	External Database	Details
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
His 1085	-	expression tag
His 1086	-	expression tag
His 1087	-	expression tag
His 1088	-	expression tag
His 1089	-	expression tag
His 1090	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	104460.5
Non-Polymers*	Number of molecules	7
	Total formula weight	566.7
All*	Total formula weight	105027.2

*Water molecules are not included.