2OC7

Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	Hepatitis C Virus	polymer	200	21233.2	2	UniProt (Q9ELS8) Pfam (PF02907) UniProt (by SIFTS) (P27958) In PDB	Hepatitis C virus
2	B, D	Hepatitis C Virus	polymer	23	2394.0	2	UniProt (Q9QP06) Pfam (PF01006) UniProt (by SIFTS) (P27958) In PDB
3	A, C	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	A	BETA-MERCAPTOETHANOL	non-polymer		78.1	1	Chemie (BME)
5	A	TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE	non-polymer		562.7	1	Chemie (HU4)
6		water	water		18.0	135	Chemie (HOH)

Sequence modifications

A, C: 1 - 181 (UniProt: Q9ELS8)

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
Arg 119	Gln 1145	conflict
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: Q9QP06)

PDB	External Database	Details
Lys 19	-	cloning artifact
Lys 20	-	cloning artifact
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	4
	Total formula weight	771.6
All*	Total formula weight	48026.2

*Water molecules are not included.