4OK3
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 7 [[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid]
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Serine protease NS3 | polymer | 464 | 49780.4 | 2 | UniProt (K4KA16) Pfam (PF07652) Pfam (PF22027) In PDB | Hepatitis C Virus | |
2 | A | [1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid | non-polymer | 299.8 | 1 | Chemie (2SY) | |||
3 | A | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
4 | water | water | 18.0 | 104 | Chemie (HOH) |
Sequence modifications
A, B: 180 - 630 (UniProt: K4KA16)
PDB | External Database | Details |
---|---|---|
Met 167 | - | expression tag |
Gly 168 | - | expression tag |
Ser 169 | - | expression tag |
Ser 170 | - | expression tag |
His 171 | - | expression tag |
His 172 | - | expression tag |
His 173 | - | expression tag |
His 174 | - | expression tag |
His 175 | - | expression tag |
His 176 | - | expression tag |
Ser 177 | - | expression tag |
Ser 178 | - | expression tag |
Gly 179 | - | expression tag |
Asn 403 | Ser 1429 | conflict |
Met 505 | Thr 1531 | conflict |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 99560.8 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 379.9 | |
All* | Total formula weight | 99940.7 |