4e76

Apo crystal structure of HCV NS5B genotype 2A JFH-1 isolate with beta hairpin loop deletion

Method: X-RAY DIFFRACTION Dmax: 77.4 Å Quality: EXCELLENT

1. Protein Identity and Related Structures Protein Identity & Related Structures

RNA-directed RNA polymerase

Hepatitis C virus

UniProt Q99IB8

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain A; UniProt 2443–2885 Chain A; UniProt 2896–3012 Fragment:SEE REMARK 999 Mutation:E86Q, E87Q, Delta8 replaced with GG SO4 SULFATE ION × 7 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 6.9;289 K;3.95 mg/mL NS5B in 20 mM Tris, pH 8, 200 mM sodium chloride, 20% glycerol, 2 mM TCEP, 200 mM imidazole against 30% PEG550 MME, 0.1 M Bis-Tris propane, pH 6.5, 50 mM ammonium sulfate, cryoprotectant: 25% ethylene glycol, crystal tracking ID 227386E9, VAPOR DIFFUSION, SITTING DROP, temperature 289K Resolution 2.50 Å R-free 0.257

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

31 other PDB entries and 36 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name POLG_HCVJF
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 3–445; UniProt 2443–2885 Author chain A; PDBConstruct 448–564; UniProt 2896–3012

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 4e76

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4e76
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4e76
Deposition date deposition_date2012-03-16
Structure title titleApo crystal structure of HCV NS5B genotype 2A JFH-1 isolate with beta hairpin loop deletion
Keywords keywordsRDRP, loopless DELTA8, Flaviviridae, hepatitis C virus, VIRAL PROTEIN, TRANSFERASE; VIRAL PROTEIN, TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier25.88
Radius of gyration Rg (electron density) rg_electron24.79
Forward intensity I(0) i061965200.00
Molecular weight molecular_weight60011.0 kDa
Excluded volume excluded_volume74593 ų
Envelope volume envelope_volume91198 ų
Hydration-shell volume shell_volume30440 ų
Envelope diameter envelope_diameter79.9
Shell Rg shell_rg32.35
Envelope Rg envelope_rg24.24
Shape Rg shape_rg24.77
Total Rg total_rg25.66
Total atoms total_atoms4204
Residues n_residues544
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax77.4
Rg (real space) rg_real25.73
Rg uncertainty (real space) rg_real_error0.37
I(0) (real space) i0_real6.1970e+07
I(0) uncertainty (real space) i0_real_error8.1780e+05
Rg (reciprocal space) rg_reciprocal25.78
I(0) (reciprocal space) i0_reciprocal61970000.0000
Solution quality estimate total_estimate0.9161
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary33.0
Skewness Skewness skewness0.097
Kurtosis Kurtosis kurtosis-0.601
Angular range angular_range— – 0.3050 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha8490000.0000
Real-space data points n_real_points62
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.973; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.992

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd4e76a1
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.8 — DNA/RNA polymerases
Superfamily Superfamily superfamilye.8.1 — DNA/RNA polymerases
Family Family familye.8.1.4 — RNA-dependent RNA-polymerase
Domain ID domain_idd4e76a2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags

8. Citations (1)

9. Files and Curves (10)