5EQQ
Crystal structure of HCV NS3/4A WT protease in complex with 5172-Linear (MK-5172 linear analogue)
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | NS3 protease | polymer | 190 | 20071.6 | 1 | UniProt (C1KIK8) Pfam (PF02907) In PDB | Hepatitis C virus | |
2 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
3 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
4 | A | ~{tert}-butyl ~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[(1~{R},2~{R})-1-(cyclopropylsulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxy-quinoxalin-2-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | non-polymer | 744.9 | 1 | Chemie (5RS) | |||
5 | water | water | 18.0 | 146 | Chemie (HOH) |
Sequence modifications
A: 1004 - 1179 (UniProt: C1KIK8)
PDB | External Database | Details |
---|---|---|
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 1013 | Leu 13 | conflict |
Glu 1014 | Leu 14 | conflict |
Gln 1017 | Ile 17 | conflict |
Glu 1018 | Ile 18 | conflict |
Gln 1021 | Leu 21 | conflict |
Thr 1040 | Ala 40 | conflict |
Ser 1047 | Cys 47 | conflict |
Leu 1052 | Cys 52 | conflict |
Thr 1072 | Ile 72 | conflict |
Gln 1086 | Pro 86 | conflict |
Ala 1139 | Ser 139 | conflict |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 20071.6 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 906.4 | |
All* | Total formula weight | 20978.0 |