5ESB
Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Vaniprevir
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | NS3 protease | polymer | 193 | 20416.1 | 1 | UniProt (C1KIK8) Pfam (PF02907) UniProt (by SIFTS) (A0A0B4WYC6) | Hepatitis C virus | |
| 2 | B (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | C, D (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | E (A) | (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide | non-polymer | 757.9 | 1 | Chemie (SU3) | |||
| 5 | F (A) | water | water | 18.0 | 70 | Chemie (HOH) |
Sequence modifications
A: 1004 - 1179 (UniProt: C1KIK8)
| PDB | External Database | Details |
|---|---|---|
| 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 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 |
| Thr 1123 | Arg 123 | engineered mutation |
| Leu 1132 | Ile 132 | engineered mutation |
| Ser 1159 | Cys 159 | conflict |
| Gln 1168 | Asp 168 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 20416.1 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1015.5 | |
| All* | Total formula weight | 21431.5 |
