› 4txs

X-ray diffraction
2.78Å resolution

An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline

Released:
DOI: 10.2210/pdb4txs/pdb
PDB entry 4txs coloured by chain, front view.
PDB entry 4txs coloured by chain, side view.
PDB entry 4txs coloured by chain, top view.
Source organism: Hepacivirus hominis
Primary publication:
A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline.
Chen X, Qin S, Chen S, Li J, Li L, Wang Z, Wang Q, Lin J, Yang C, Shui W
OpenAccess logo Sci Rep 5 8361 (2015)
PMID: 25666181

Function and Biology Details

Reactions catalysed: 
Nucleoside triphosphate + RNA(n) = diphosphate + RNA(n+1)
ATP + H(2)O = ADP + phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-112041 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
RNA-directed RNA polymerase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 566 amino acids
Theoretical weight: 62.79 KDa
Source organism: Hepacivirus hominis
Expression system: Escherichia coli
UniProt:
  • Canonical: D0PY27 (Residues: 1-566; Coverage: 96%)
Sequence domains: Viral RNA dependent RNA polymerase
Structure domains: Alpha-Beta Plaits

Ligands and Environments

1 bound ligand:
Ligand 3AQ 4 x 3AQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 102.177Å b: 102.077Å c: 251.875Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.223 0.22 0.294
Expression system: Escherichia coli

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Citations

3 review citations

G protein-coupled receptors: structure- and function-based drug discovery.
Yang et al. (2021)
2 more