2A4R

HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound.

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	200	21233.2	2	UniProt (Q91RS4) Pfam (PF02907) UniProt (by SIFTS) (P27958) In PDB	Hepatitis C virus
2	B, D	Ns4a peptide	polymer	23	2394.0	2	UniProt (O39914) Pfam (PF01006) UniProt (by SIFTS) (P27958) In PDB
3	A, C	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	A	[(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}-3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL-2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC ACID	non-polymer		697.8	1	Chemie (BNH)
5		water	water		18.0	161	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -10	-	cloning artifact
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 (UniProt: O39914)

PDB	External Database	Details
Lys 19	-	cloning artifact
Lys 20	-	cloning artifact
Val 30	Ile 15	engineered mutation
Lys 40	-	cloning artifact
Lys 41	-	cloning artifact

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	47254.5
Non-Polymers*	Number of molecules	3
	Total formula weight	828.6
All*	Total formula weight	48083.2

*Water molecules are not included.