1RTL

CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN: NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND PYRROLIDINE-5,5-TRANSLACTAM INHIBITOR

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	NS3 protease/helicase	polymer	200	21263.3	2	UniProt (Q91RS4) Pfam (PF02907) UniProt (by SIFTS) (P26664) In PDB	Hepatitis C virus
2	C, D	NS4A COFACTOR	polymer	23	2394.0	2	GenBank (5748511) Pfam (PF01006) UniProt (by SIFTS) (O39914) In PDB
3	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	A	N-[(2R,3S)-1-((2S)-2-{[(CYCLOPENTYLAMINO)CARBONYL]AMINO}-3-METHYLBUTANOYL)-2-(1-FORMYL-1-CYCLOBUTYL)PYRROLIDINYL]CYCLOPROPANECARBOXAMIDE	non-polymer		446.6	1	Chemie (CPX)
5		water	water		18.0	102	Chemie (HOH)

Sequence modifications

A, B: 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
Thr 164	Ala 164	engineered mutation
Gly 182	-	expression tag
Ser 183	-	expression tag
His 184	-	expression tag
His 185	-	expression tag
His 186	-	expression tag
His 187	-	expression tag
His 188	-	expression tag
His 189	-	expression tag

C, D: 21 - 39 (GenBank: 5748511)

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	47314.6
Non-Polymers*	Number of molecules	3
	Total formula weight	577.4
All*	Total formula weight	47892.0

*Water molecules are not included.