2GVF

HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021

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)	polyprotein	polymer	199	21102.0	2	GenBank (22129793) Pfam (PF02907) UniProt (by SIFTS) (P26664)	Hepatitis C virus
2	B, D (B, D)	Polyprotein	polymer	23	2394.0	2	GenBank (22129793) Pfam (PF01006) UniProt (by SIFTS) (P26664)
3	E, G (A, C)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	F (A)	(6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE	non-polymer		788.9	1	Chemie (NHN)
5	H, I, J, K (A, B, C, D)	water	water		18.0	128	Chemie (HOH)

Sequence modifications

A, C: 1 - 181 (GenBank: 22129793)

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: 23 - 39 (GenBank: 22129793)

PDB	External Database	Details
Lys 19	-	insertion
Lys 20	-	insertion
Gly 21	-	insertion
Ser 22	-	insertion
Lys 40	-	insertion
Lys 41	-	insertion

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	46992.1
Non-Polymers*	Number of molecules	3
	Total formula weight	919.7
All*	Total formula weight	47911.9

*Water molecules are not included.