1RGQ

M9A HCV Protease complex with pentapeptide keto-amide 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	polymer	200	21263.3	2	UniProt (P27958) Pfam (PF02907) In PDB	Hepatitis C virus
2	C, D	NS4A peptide	polymer	22	2264.9	2	UniProt (O39914) Pfam (PF01006) In PDB
3	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	B	N-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEUCYL-N~1~-{1-[2-({1-CARBOXY-2-[4-(PHOSPHONOOXY)PHENYL]ETHYL}AMINO)-1,1-DIHYDROXY-2-OXOETHYL]BUT-3-ENYL}-3-CYCLOHEXYLALANINAMIDE	non-polymer		889.9	1	Chemie (AKP)

Sequence modifications

A, B: 4 - 184 (UniProt: P27958)

PDB	External Database	Details
Met -7	-	EXPRESSION TAG
Ala -6	-	EXPRESSION TAG
Ser -5	-	EXPRESSION TAG
Met -4	-	EXPRESSION TAG
Thr -3	-	EXPRESSION TAG
Gly -2	-	EXPRESSION TAG
Gly -1	-	EXPRESSION TAG
Gln 0	-	EXPRESSION TAG
Gln 1	-	EXPRESSION TAG
Met 2	-	EXPRESSION TAG
Gly 3	-	EXPRESSION TAG
Thr 167	Ala 1190	CONFLICT
Gly 185	-	EXPRESSION TAG
Ser 186	-	EXPRESSION TAG
His 187	-	EXPRESSION TAG
His 188	-	EXPRESSION TAG
His 189	-	EXPRESSION TAG
His 190	-	EXPRESSION TAG
His 191	-	EXPRESSION TAG
His 192	-	EXPRESSION TAG

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	47056.2
Non-Polymers*	Number of molecules	3
	Total formula weight	1020.7
All*	Total formula weight	48077.0

*Water molecules are not included.