4wtg

CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH SOFOSBUVIR DIPHOSPHATE GS-607596, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-CAAAAUUU

Method: X-RAY DIFFRACTION Dmax: 74.6 Å Quality: REASONABLE

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

RNA-directed RNA polymerase

Hepatitis C virus JFH-1

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–RNA Monomer Protein × 1 RNA 2 PDB declaration: trimeric(3) Consistent with all polymer counts Chain A; UniProt 2443–3012 Mutation:S2457G, E2528Q, E2529Q, C2665H, V2763I, UNP residues 2886-2895 NFEMYGSVYS deleted and replaced by GG linker RNA PRIMER TEMPLATE CAAAAUUU × 2 MN MANGANESE (II) ION × 3 6GS 2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate) × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 6.6;289 K;NS5B AT 5.1 MG/ML IN 5 MM TRIS PH 7.5, 200 MM NH4OAC, 1 MM EDTA, 1 MM DTT AGAINST 25% PEG 550MME, 50 MM MGCL2, 0.1 M HEPES PH 7.5 FOR CRYSTAL GROWTH SOAKED, INTO 28% PEG 550 MME, 0.2 M AMMONIUM ACETATE, 0.05 M BISTRIS PROPANE PH 6.0, 0.05 M TRIS PH 7.2, 12 MM MNCL2, 20 MM GS-607596, 4 MM 5'-CAAAAUUU WITH 8% GLYCEROL AS CRYO-PROTECTANT, CRYSTAL TRACKING ID 251148C4, UNIQUE PUCK ID MCI3-1, PH 6.6 Resolution 2.90 Å R-free 0.232

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 2
Chains and sequence ranges Author chain A; PDBConstruct 3–564; UniProt 2443–3012

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 4wtg

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id4wtg
Deposition date deposition_date2014-10-30
Structure title titleCRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH SOFOSBUVIR DIPHOSPHATE GS-607596, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-CAAAAUUU
Keywords keywords;HCV, VIRAL, NS5B, RDRP, RESISTANCE MUTATION, TEMPLATE, PRIMER, PRIMED INITIATION, DELTA8 BETA HAIRPIN LOOP DELETION, Transferase-RNA complex ;; Transferase/RNA
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier24.68
Radius of gyration Rg (electron density) rg_electron24.18
Forward intensity I(0) i071669800.00
Molecular weight molecular_weight62453.0 kDa
Excluded volume excluded_volume76488 ų
Envelope volume envelope_volume90379 ų
Hydration-shell volume shell_volume30565 ų
Envelope diameter envelope_diameter80.0
Shell Rg shell_rg31.97
Envelope Rg envelope_rg24.11
Shape Rg shape_rg24.20
Total Rg total_rg24.87
Total atoms total_atoms4357
Residues n_residues549
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 dmax74.6
Rg (real space) rg_real24.71
Rg uncertainty (real space) rg_real_error0.12
I(0) (real space) i0_real6.9670e+07
I(0) uncertainty (real space) i0_real_error6.6680e+05
Rg (reciprocal space) rg_reciprocal24.59
I(0) (reciprocal space) i0_reciprocal71670000.0000
Solution quality estimate total_estimate0.7183
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary28.4
Skewness Skewness skewness0.253
Kurtosis Kurtosis kurtosis-0.452
Angular range angular_range— – 0.3200 −1
Current regularization parameter α current_alpha7.4490
Highest regularization parameter α highest_alpha17200000.0000
Real-space data points n_real_points64
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.955; Stabil: 0.923; Sysdev: 0.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.727

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

8. Citations (1)

9. Files and Curves (10)