9YC7

Plasmodium falciparum M17 aminopeptidase (PfA-M17) bound to inhibitor 3k (MIPS3415)

This is a non-PDB format compatible entry.

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	527	58577.8	12	UniProt (Q8IL11) Pfam (PF00883)	Plasmodium falciparum (malaria parasite P. falciparum)
2	AA, AB, CA, CB, CC... (B, E, G, J, L...)	ZINC ION	non-polymer		65.4	24	Chemie (ZN)
3	AE, BA, BB, IC, IE... (K, B, E, G, L...)	CARBONATE ION	non-polymer		60.0	12	Chemie (CO3)
4	AC, AD, BC, BD, BE... (F, I, K, E, B...)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	43	Chemie (PEG)
5	FC, GA, HA, JD, JE... (G, B, J, L, E...)	DIMETHYL SULFOXIDE	non-polymer		78.1	19	Chemie (DMS)
6	DA, FA, FE, GD, HB... (B, L, J, E, G...)	SULFATE ION	non-polymer		96.1	23	Chemie (SO4)
7	JC, U (G, A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
8	V (A)	N-[(1R)-2-(hydroxyamino)-2-oxo-1-(quinolin-7-yl)ethyl]-3,3-dimethylbutanamide	non-polymer		315.4	1	Chemie (A1CTH)
9	HE, IB, NC, RA, VC... (L, E, H, C, I...)	PENTAETHYLENE GLYCOL	non-polymer		238.3	7	Chemie (1PE)
10	NE, OE, PE, QE, RE... (A, B, C, D, E...)	water	water		18.0	2098	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L: 85 - 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	702933.3
Non-Polymers*	Number of molecules	131
	Total formula weight	12714.6
All*	Total formula weight	715647.9

*Water molecules are not included.