6SBQ

The crystal structure of PfA-M1 in complex with 7-amino-4-phenyl-5,7,8,9-tetrahydrobenzocyclohepten-6-one

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 alanyl aminopeptidase	polymer	924	107617.8	1	UniProt (Q8IEK1) Pfam (PF17900) Pfam (PF01433) Pfam (PF11940) Pfam (PF17432) UniProt (by SIFTS) (O96935)	Plasmodium falciparum (isolate 3D7)
2	B (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	C (A)	[(7~{S})-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium	non-polymer		270.3	1	Chemie (7ML)
4	D, I (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
5	E, F (A)	MALONATE ION	non-polymer		102.0	2	Chemie (MLI)
6	G, H (A)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
7	J (A)	water	water		18.0	1668	Chemie (HOH)

Sequence modifications

A: 192 - 1085 (UniProt: Q8IEK1)

PDB	External Database	Details
Met 162	-	initiating methionine
Ala 163	-	expression tag
His 164	-	expression tag
His 165	-	expression tag
His 166	-	expression tag
His 167	-	expression tag
His 168	-	expression tag
His 169	-	expression tag
Val 170	-	expression tag
Gly 171	-	expression tag
Thr 172	-	expression tag
Gly 173	-	expression tag
Ser 174	-	expression tag
Asn 175	-	expression tag
Asp 176	-	expression tag
Asp 177	-	expression tag
Asp 178	-	expression tag
Asp 179	-	expression tag
Lys 180	-	expression tag
Ser 181	-	expression tag
Pro 182	-	expression tag
Asp 183	-	expression tag
Pro 184	-	expression tag
Glu 185	-	expression tag
Asn 186	-	expression tag
Leu 187	-	expression tag
Tyr 188	-	expression tag
Phe 189	-	expression tag
Gln 190	-	expression tag
Ser 191	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	107617.8
Non-Polymers*	Number of molecules	8
	Total formula weight	798.1
All*	Total formula weight	108415.8

*Water molecules are not included.