3T8W

A bestatin-based chemical biology strategy reveals distinct roles for malaria M1- and M17-family aminopeptidases

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	528	58709.0	12	UniProt (Q8IL11) Pfam (PF00883)	Plasmodium falciparum	Pf-LAP
2	CD, EB, FC, KA, LB... (K, F, I, D, G...)	CARBONATE ION	non-polymer		60.0	12	Chemie (CO3)
3	AA, BA, DD, ED, FB... (C, K, F, I, D...)	ZINC ION	non-polymer		65.4	24	Chemie (ZN)
4	AC, CA, FD, HB, IC... (H, C, K, F, I...)	N-((2R,3S,6S,18S,21S)-2-amino-18-(4-benzoylbenzyl)-21-carbamoyl-3-hydroxy-6-(naphthalen-2-ylmethyl)-4,7,16,19-tetraoxo-1-phenyl-11,14-dioxa-5,8,17,20-tetraazapentacosan-25-yl)hex-5-ynamide	non-polymer		1010.2	12	Chemie (DGZ)
5	AB, BC, CC, DA, DC... (E, H, C, K, I...)	SULFATE ION	non-polymer		96.1	29	Chemie (SO4)
6	AD, BB, BD, CB, DB... (J, E, K, C, F...)	PENTAETHYLENE GLYCOL	non-polymer		238.3	33	Chemie (1PE)
7	EC, Y (H, B)	NONAETHYLENE GLYCOL	non-polymer		414.5	2	Chemie (2PE)
8	AE, BE, CE, DE, EE... (G, H, I, J, K...)	water	water		18.0	4795	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L: 84 - 605 (UniProt: Q8IL11)

PDB	External Database	Details
Gln 152	Asn 152	engineered mutation
Gln 515	Asn 515	engineered mutation
Gln 546	Asn 546	engineered mutation
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	704507.7
Non-Polymers*	Number of molecules	112
	Total formula weight	25890.1
All*	Total formula weight	730397.8

*Water molecules are not included.