6SBR

The crystal structure of PfA-M1 in complex with 7-amino-1,4-dibromo-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	M1-family alanyl aminopeptidase	polymer	924	107617.8	1	UniProt (Q8IEK1) Pfam (PF17900) Pfam (PF01433) Pfam (PF11940) Pfam (PF17432) UniProt (by SIFTS) (O96935) In PDB	Plasmodium falciparum (isolate 3D7)
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A	[(7~{S})-1,4-bis(bromanyl)-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium	non-polymer		352.0	1	Chemie (L5E)
4	A	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		282.3	1	Chemie (B3P)
5	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
7		water	water		18.0	1266	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	5
	Total formula weight	827.3
All*	Total formula weight	108445.1

*Water molecules are not included.