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5VOJ

Crystal structure of HCV NS3/4A protease in complex with JZ01-15, an analogue of 5172-mcP1P3

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1ANS4A cofactor -- NS3 protein chimerapolymer20321503.31UniProt (A8DG50)
Pfam (PF02907)
UniProt (by SIFTS) (P26664)
In PDB
Hepatitis C virus subtype 1a
2Atert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamatenon-polymer754.91Chemie (9H4)
3ASULFATE IONnon-polymer96.11Chemie (SO4)
4AZINC IONnon-polymer65.41Chemie (ZN)
5waterwater18.0183Chemie (HOH)
Sequence modifications
A: 990 - 1000 (UniProt: A8DG50)
PDBExternal DatabaseDetails
Gly 980-expression tag
Ser 981-expression tag
His 982-expression tag
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
Ser 991Cys 1679engineered mutation
Ile 998Val 1686engineered mutation
Asn 999Ile 1687engineered mutation
A: 1003 - 1182 (UniProt: A8DG50)
PDBExternal DatabaseDetails
Ser 1001-linker
Gly 1002-linker
Asp 1003Ile 1029engineered mutation
Glu 1013Leu 1039engineered mutation
Glu 1014Leu 1040engineered mutation
Gln 1017Ile 1043engineered mutation
Glu 1018Ile 1044engineered mutation
Gln 1021Leu 1047engineered mutation
Thr 1040Ala 1066engineered mutation
Ser 1047Cys 1073engineered mutation
Leu 1052Cys 1078engineered mutation
Thr 1072Ile 1098engineered mutation
Gln 1086Pro 1112engineered mutation
Ser 1159Cys 1185engineered mutation
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains1
Total formula weight21503.3
Non-Polymers*Number of molecules3
Total formula weight916.4
All*Total formula weight22419.7
*Water molecules are not included.

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PDB entries from 2024-07-24

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