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Crystal structure of a product state assembly of HCV NS5B genotype 2A jfh-1 isolate with beta hairpin loop deletion bound to primer- template RNA with 3'-dg

Analyse Crystal structure of a product state assembly of HCV NS5B genotype 2A jfh-1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4E78
Type
protein + RNA
Length
548 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-R(*U*AP*CP*CP*GP*(GDO))-3'; Protein (RNA-directed RNA polymerase)
EC
2.7.7.48
UniProt
Q99IB8
Pockets
5 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
T, P5'-R(*U*AP*CP*CP*GP*(GDO))-3'rna5——
AProtein (RNA-directed RNA polymerase) (EC 2.7.7.48)protein53848% helix, 14% strandQ99IB8

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19360.780.8196empty
22290.600.8130empty
31370.420.7529empty
4630.370.7815empty
5780.340.7518empty

Interfaces

3 interfaces between chains.

  • P–A · 587 Ų buried · 9 hydrogen bonds · protein-nucleic
  • T–A · 533 Ų buried · 10 hydrogen bonds · protein-nucleic
  • T–P · 221 Ų buried · 19 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 2 modified, 1 disulfide (nucleotide modification, disulfide).

Compared structures

  • 4E78 · Crystal structure of a product state assembly of HCV NS5B genotype 2a JFH-1 isolate with… · the same entry in another collection · chain T against T, TM-score 1.00

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