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2XCN

Crystal structure of HCV NS3 protease with a boronate inhibitor

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
1A, BNS3 PROTEASEpolymer19821014.92UniProt (Q91RS4)
Pfam (PF02907)
In PDB
HEPATITIS C VIRUS
2C, DNS4Apolymer232394.02UniProt (C9WU77)
Pfam (PF01006)
In PDB
HEPATITIS C VIRUSNON-STRUCTURAL PROTEIN 4A/B
3A, BN-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDEnon-polymer583.52Chemie (C8D)
4A, CMAGNESIUM IONnon-polymer24.32Chemie (MG)
5A, BZINC IONnon-polymer65.42Chemie (ZN)
6waterwater18.054Chemie (HOH)
配列変更
A, B: 1 - 180 (UniProt: Q91RS4)
PDB外部データベース詳細
Ala -9-expression tag
Ser -8-expression tag
Met -7-expression tag
Thr -6-expression tag
Gly -5-expression tag
Gly -4-expression tag
Gln -3-expression tag
Gln -2-expression tag
Met -1-expression tag
Gly 0-expression tag
Gly 181-expression tag
Ser 182-expression tag
His 183-expression tag
His 184-expression tag
His 185-expression tag
His 186-expression tag
His 187-expression tag
His 188-expression tag
Thr 40Ala 40conflict
Ser 91Ala 91conflict
C, D: 21 - 39 (UniProt: C9WU77)
PDB外部データベース詳細
Lys 19-expression tag
Lys 20-expression tag
Lys 40-expression tag
Lys 41-expression tag
配列ビューア
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46818.0
タンパク質・
核酸・
糖鎖以外*
分子数6
化学式量合計1346.3
全て*化学式量合計48164.3
*水分子は含んでいません

217705

件を2024-03-27に公開中

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