3KF2

The HCV NS3/NS4A protease apo structure

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, B)	Polyprotein	polymer	200	21233.2	2	UniProt (B1PBR5) Pfam (PF02907) UniProt (by SIFTS) (B2Y2M9)	Hepatitis C virus
2	B, D (C, D)	19-mer peptide from Genome polyprotein	polymer	23	2394.0	2	UniProt (Q6GYR8) Pfam (PF01006)	Hepatitis C virus
3	E, F (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	G, H, I, J (A, C, B, D)	water	water		18.0	40	Chemie (HOH)

Sequence modifications

A, B: 1 - 181 (UniProt: B1PBR5)

PDB	External Database	Details
Met -10	-	expression tag
Ala -9	-	expression tag
Ser -8	-	expression tag
Met -7	-	expression tag
Thr -6	-	expression tag
Gly -5	-	expression tag
Gly -4	-	expression tag
Gln -3	-	expression tag
Gln -2	-	expression tag
Met -1	-	expression tag
Gly 0	-	expression tag
Glu 176	Gly 324	engineered mutation
Gly 182	-	expression tag
Ser 183	-	expression tag
His 184	-	expression tag
His 185	-	expression tag
His 186	-	expression tag
His 187	-	expression tag
His 188	-	expression tag
His 189	-	expression tag

C, D: 21 - 39 (UniProt: Q6GYR8)

PDB	External Database	Details
Lys 19	-	expression tag
Lys 20	-	expression tag
Lys 40	-	expression tag
Lys 41	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	47254.5
Non-Polymers*	Number of molecules	2
	Total formula weight	130.8
All*	Total formula weight	47385.3

*Water molecules are not included.