2F9U

HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	NS3 protease/helicase'	polymer	199	21102.0	2	UniProt (Q91RS4) Pfam (PF02907) In PDB	Hepatitis C virus
2	B, D	polyprotein	polymer	23	2394.0	2	GenBank (51039195)
3	A, C	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	A	1,1-DIMETHYLETHYL [1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE	non-polymer		738.9	1	Chemie (5NH)
5		water	water		18.0	115	Chemie (HOH)

Sequence modifications

A, C: 1 - 181 (UniProt: Q91RS4)

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

B, D: 21 - 39 (GenBank: 51039195)

PDB	External Database	Details
Lys 19	-	cloning artifact
Lys 20	-	cloning artifact
Ser 22	Cys 576	engineered mutation
Lys 40	-	cloning artifact
Lys 41	-	cloning artifact

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	46992.1
Non-Polymers*	Number of molecules	3
	Total formula weight	869.7
All*	Total formula weight	47861.9

*Water molecules are not included.