3SUE
Crystal structure of NS3/4A protease variant R155K in complex with MK-5172
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, C, D | NS3 protease, NS4A protein | polymer | 203 | 21475.3 | 4 | UniProt (A8DG50) Pfam (PF02907) In PDB | Hepatitis C virus | |
2 | A, B, C, D | (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-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]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide | non-polymer | 766.9 | 4 | Chemie (SUE) | |||
3 | A, B, C, D | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
4 | water | water | 18.0 | 151 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 986 - 1000 (UniProt: A8DG50)
A, B, C, D: 1001 - 1182 (UniProt: A8DG50)
PDB | External Database | Details |
---|---|---|
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 | Cys 1674 | engineered mutation |
Lys 987 | Leu 1675 | engineered mutation |
Lys 988 | Ser 1676 | engineered mutation |
Lys 989 | Thr 1677 | engineered mutation |
Ser 991 | Cys 1679 | SEE REMARK 999 |
Ile 998 | Val 1686 | SEE REMARK 999 |
Asn 999 | Ile 1687 | SEE REMARK 999 |
PDB | External Database | Details |
---|---|---|
Ser 1001 | Ala 1027 | engineered mutation |
Gly 1002 | Pro 1028 | engineered mutation |
Asp 1003 | Ile 1029 | engineered mutation |
Glu 1013 | Leu 1039 | engineered mutation |
Glu 1014 | Leu 1040 | engineered mutation |
Gln 1017 | Ile 1043 | engineered mutation |
Glu 1018 | Ile 1044 | engineered mutation |
Gln 1021 | Leu 1047 | engineered mutation |
Thr 1040 | Ala 1066 | engineered mutation |
Ser 1047 | Cys 1073 | engineered mutation |
Leu 1052 | Cys 1078 | engineered mutation |
Thr 1072 | Ile 1098 | engineered mutation |
Gln 1086 | Pro 1112 | engineered mutation |
Lys 1155 | Arg 1181 | engineered mutation |
Ser 1159 | Cys 1185 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 85901.3 | |
Non-Polymers* | Number of molecules | 8 |
Total formula weight | 3329.2 | |
All* | Total formula weight | 89230.5 |