2A4G

Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 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 (A, C)	NS3 protease/helicase	polymer	200	21233.2	2	GenBank (28921568) Pfam (PF02907) UniProt (by SIFTS) (P26664)	Hepatitis C virus
2	B, D (B, D)	NS4a peptide	polymer	23	2394.0	2	GenBank (51039195) Pfam (PF01006) UniProt (by SIFTS) (Q9QP61)
3	E, G (A, C)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	F (A)	({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER	non-polymer		686.8	1	Chemie (UNH)
5	H, I, J, K (A, B, C, D)	water	water		18.0	178	Chemie (HOH)

Sequence modifications

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

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 (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	47254.5
Non-Polymers*	Number of molecules	3
	Total formula weight	817.7
All*	Total formula weight	48072.2

*Water molecules are not included.