MolNFT v1 · #102085 · protein
Crystal structure of HCV polymerase NS5B genotype 2A jfh-1 isolate with the S15G, C223H, V321I resistance mutations against the guanosine analog gs-0938 (psi-3529238)
4OBC · RNA-directed RNA polymerase: “Crystal structure of HCV polymerase NS5B genotype 2A jfh-1 isolate with the S15G, C223H, V321I resistance…”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.75). MolNFT v1 #102085 on…
- PDB
- 4OBC
- Type
- protein
- Length
- 554 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RNA-directed RNA polymerase
- EC
- 2.7.7.48
- UniProt
- Q99IB8
- Ligands
- CL
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RNA-directed RNA polymerase (EC 2.7.7.48) | protein | 554 | 49% helix, 16% strand | Q99IB8 |
Ligands and binding sites
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 2 copies · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
- PG6 · 1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 932 | 0.75 | 0.78 | 91 | MES, GOL |
| 2 | 152 | 0.47 | 0.77 | 30 | PG6 |
| 3 | 106 | 0.42 | 0.77 | 21 | empty |
Compared structures
- 4OBC · Crystal structure of HCV polymerase NS5b genotype 2a JFH-1 isolate with the S15G, C223H… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q99IB8
- Elsewhere: RCSB PDB 4OBC · PDBe 4OBC · UniProt Q99IB8
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