3GYN
Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydropyridinone inhibitor
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | RNA-directed RNA polymerase | polymer | 578 | 64345.7 | 2 | UniProt (P26663) Pfam (PF00998) In PDB | Hepatitis C virus (isolate BK) (HCV) | NS5B, p68 |
2 | A, B | N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide | non-polymer | 538.7 | 2 | Chemie (B42) | |||
3 | water | water | 18.0 | 204 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 570 (UniProt: P26663)
PDB | External Database | Details |
---|---|---|
Gln 544 | Arg 2963 | engineered mutation |
Leu 571 | - | expression tag |
Glu 572 | - | expression tag |
His 573 | - | expression tag |
His 574 | - | expression tag |
His 575 | - | expression tag |
His 576 | - | expression tag |
His 577 | - | expression tag |
His 578 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 128691.5 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 1077.4 | |
All* | Total formula weight | 129768.8 |