4X2T

X-ray crystal structure of the orally available aminopeptidase inhibitor, Tosedostat, bound to the M17 Leucyl Aminopeptidase from P. falciparum

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...	M17 leucyl aminopeptidase	polymer	519	57564.6	12	UniProt (Q8IL11) Pfam (PF00883) In PDB	Plasmodium falciparum (isolate 3D7)
2	C, H, D, I, A...	ZINC ION	non-polymer		65.4	24	Chemie (ZN)
3	G, L, C, H, I...	(2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid	non-polymer		338.4	11	Chemie (TOD)
4	G, L, C, D, H...	CARBONATE ION	non-polymer		60.0	12	Chemie (CO3)
5	G, L, C, D, I...	SULFATE ION	non-polymer		96.1	13	Chemie (SO4)
6	G, C, H, D, A...	PENTAETHYLENE GLYCOL	non-polymer		238.3	10	Chemie (1PE)
7		water	water		18.0	1031	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L: 85 - 603 (UniProt: Q8IL11)

PDB	External Database	Details
Gln 152	Asn 152	engineered mutation
Gln 515	Asn 515	engineered mutation
Gln 546	Asn 546	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	690775.8
Non-Polymers*	Number of molecules	70
	Total formula weight	9643.4
All*	Total formula weight	700419.2

*Water molecules are not included.