3PNR

Structure of PbICP-C in complex with falcipain-2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Falcipain 2	polymer	240	27026.5	1	UniProt (Q9N6S8) Pfam (PF00112) UniProt (by SIFTS) (Q8I6U4)	Plasmodium falciparum
2	B (B)	PbICP-C	polymer	187	21244.0	1	UniProt (Q4YW59)	Plasmodium berghei
3	C, D, E (A)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
4	F, G (B)	CADMIUM ION	non-polymer		112.4	2	Chemie (CD)
5	H, I (A, B)	water	water		18.0	54	Chemie (HOH)

Sequence modifications

A: 2 - 241 (UniProt: Q9N6S8)

PDB	External Database	Details
Ala 42	Cys 285	engineered mutation

B: 190 - 354 (UniProt: Q4YW59)

PDB	External Database	Details
Met 168	-	expression tag
Gly 169	-	expression tag
His 170	-	expression tag
His 171	-	expression tag
His 172	-	expression tag
His 173	-	expression tag
His 174	-	expression tag
His 175	-	expression tag
His 176	-	expression tag
His 177	-	expression tag
His 178	-	expression tag
His 179	-	expression tag
Ser 180	-	expression tag
Ser 181	-	expression tag
Gly 182	-	expression tag
His 183	-	expression tag
Ile 184	-	expression tag
Glu 185	-	expression tag
Gly 186	-	expression tag
Arg 187	-	expression tag
His 188	-	expression tag
Met 189	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	48270.5
Non-Polymers*	Number of molecules	5
	Total formula weight	501.1
All*	Total formula weight	48771.6

*Water molecules are not included.