3M5M
Avoiding drug resistance against HCV NS3/4A protease inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | NS3/4A | polymer | 203 | 21487.3 | 2 | UniProt (A8DG50) Pfam (PF02907) | Hepatitis C virus subtype 1a | |
| 2 | C (C) | FDEMEEC Peptide | polymer | 8 | 928.0 | 1 | UniProt (Q9WPH5) | Hepatitis C virus subtype 1a | |
| 3 | D (A) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) | |||
| 4 | E, F, G (A) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 5 | H, I (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 6 | J, K, L (A, B, C) | water | water | 18.0 | 310 | Chemie (HOH) |
Sequence modifications
A, B: 990 - 1000 (UniProt: A8DG50)
A, B: 1001 - 1182 (UniProt: A8DG50)
C: 1 - 7 (UniProt: Q9WPH5)
| 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 | - | engineered mutation |
| Lys 987 | - | engineered mutation |
| Lys 988 | - | engineered mutation |
| Lys 989 | - | 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 |
| Ala 1139 | Ser 1165 | engineered mutation |
| Ser 1159 | Cys 1185 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Ace 0 | - | acetylation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 43902.7 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 614.2 | |
| All* | Total formula weight | 44516.9 |
