2OC0

Structure of NS3 complexed with a ketoamide inhibitor SCh491762

エンティティ

Entity ID	鎖名	説明	種類	鎖長	化学式量	分子数	データベース名(アクセス番号)	由来する生物種	エンティティの一般名
1	A, C	Hepatitis C Virus	polymer	200	21233.2	2	UniProt (Q9ELS8) Pfam (PF02907) UniProt (by SIFTS) (P27958) In PDB	Hepatitis C virus
2	B, D	Hepatitis C virus	polymer	23	2394.0	2	UniProt (Q9QP06) Pfam (PF01006) UniProt (by SIFTS) (P27958) 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)-2-[(1R,2S,5S)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE	non-polymer		546.7	1	Chemie (HU1)
6		water	water		18.0	210	Chemie (HOH)

配列変更

A, C: 1 - 181 (UniProt: Q9ELS8)

PDB	外部データベース	詳細
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
Arg 119	Gln 1145	conflict
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 (UniProt: Q9QP06)

PDB	外部データベース	詳細
Lys 19	-	cloning artifact
Lys 20	-	cloning artifact
Lys 40	-	cloning artifact
Lys 41	-	cloning artifact

非対称単位の内容

タンパク質・ 核酸鎖	鎖の数	4
	化学式量合計	47254.5
タンパク質・ 核酸・ 糖鎖以外*	分子数	4
	化学式量合計	755.6
全て*	化学式量合計	48010.2

*水分子は含んでいません