2FM2

HCV NS3-4A protease domain complexed with a ketoamide inhibitor, SCH446211

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	GenBank (28921568) Pfam (PF02907) UniProt (by SIFTS) (Q9ELS8) In PDB	Hepatitis C virus
2	B, D	NS4a protein	polymer	23	2394.0	2	Pfam (PF01006) UniProt (by SIFTS) (Q9ELS8) 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)-1-({(1R,2S,5S)-2-[(3S,10S)-3-(CYCLOPROPYLMETHYL)-12-METHYL-4,5,8,11-TETRAOXO-10-PHENYL-2,6,9,12-TETRAAZATRIDECAN-1 -OYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-3-YL}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE	non-polymer		724.9	1	Chemie (3BC)
6		water	water		18.0	154	Chemie (HOH)

Sequence modifications

A, C: 1 - 181 (GenBank: 28921568)

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
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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	47254.5
Non-Polymers*	Number of molecules	4
	Total formula weight	933.8
All*	Total formula weight	48188.4

*Water molecules are not included.