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6C2M

Crystal structure of HCV NS3/4A protease variant Y56H in complex with MK-5172

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, B, C, DNS3 proteasepolymer19720854.64UniProt (C1KIK8)
Pfam (PF02907)
In PDB
Hepatitis C virus
2A, B, C, DZINC IONnon-polymer65.44Chemie (ZN)
3A, B, C, D(1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamidenon-polymer766.94Chemie (SUE)
4CSULFATE IONnon-polymer96.11Chemie (SO4)
5waterwater18.0209Chemie (HOH)
Sequence modifications
A, B, C, D: 1004 - 1179 (UniProt: C1KIK8)
PDBExternal DatabaseDetails
Met 983-expression tag
Ala 984-expression tag
Ser 985-expression tag
Met 986-expression tag
Lys 987-expression tag
Lys 988-expression tag
Lys 989-expression tag
Gly 990-expression tag
Ser 991-expression tag
Val 992-expression tag
Val 993-expression tag
Ile 994-expression tag
Val 995-expression tag
Gly 996-expression tag
Arg 997-expression tag
Ile 998-expression tag
Asn 999-expression tag
Leu 1000-expression tag
Ser 1001-expression tag
Gly 1002-expression tag
Asp 1003-expression tag
Glu 1013Leu 13engineered mutation
Glu 1014Leu 14engineered mutation
Gln 1017Ile 17engineered mutation
Glu 1018Ile 18engineered mutation
Gln 1021Leu 21engineered mutation
Thr 1040Ala 40engineered mutation
Ser 1047Cys 47engineered mutation
Leu 1052Cys 52engineered mutation
His 1056Tyr 56engineered mutation
Thr 1072Ile 72engineered mutation
Gln 1086Pro 86engineered mutation
Ser 1159Cys 159engineered mutation
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains4
Total formula weight83418.5
Non-Polymers*Number of molecules9
Total formula weight3425.3
All*Total formula weight86843.9
*Water molecules are not included.

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PDB entries from 2024-03-27

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