8qel

PKR kinase domain- eIF2alpha in complex with compound

Method: X-RAY DIFFRACTION Dmax: 94.2 Å Quality: GOOD

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

Eukaryotic translation initiation factor 2 subunit alpha

Saccharomyces cerevisiae

UniProt P20459

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 4–176 Not recorded Interferon-induced, double-stranded RNA-activated protein kinase × 1 (P19525) UH3 (3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293 K;0.1 M MOPS pH 7.5, 10% PEG 8000, 0.2 M magnesium acetate Resolution 2.45 Å R-free 0.278

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.

28 other PDB entries and 28 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name IF2A_YEAST
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–173; UniProt 4–176

Interferon-induced, double-stranded RNA-activated protein kinase

Homo sapiens

UniProt P19525

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain B; UniProt 258–337 Chain B; UniProt 357–541 Non-standard monomer:Yes (specific site not provided by mmCIF) Eukaryotic translation initiation factor 2 subunit alpha × 1 (P20459) UH3 (3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293 K;0.1 M MOPS pH 7.5, 10% PEG 8000, 0.2 M magnesium acetate Resolution 2.45 Å R-free 0.278

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.

12 other PDB entries and 15 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name E2AK2_HUMAN
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 3–82; UniProt 258–337 Author chain B; PDBConstruct 89–273; UniProt 357–541

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 8qel

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 8qel
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2. Structure Basics 2. Structure Basics

Entry ID entry_id8qel
Deposition date deposition_date2023-08-31
Structure title titlePKR kinase domain- eIF2alpha in complex with compound
Keywords keywordsprotein synthesis/transferase, antiproliferative and antiviral effects, interferon, RNA BINDING PROTEIN; RNA BINDING PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier28.36
Radius of gyration Rg (electron density) rg_electron28.23
Forward intensity I(0) i038575400.00
Molecular weight molecular_weight49640.0 kDa
Excluded volume excluded_volume62793 ų
Envelope volume envelope_volume79858 ų
Hydration-shell volume shell_volume25514 ų
Envelope diameter envelope_diameter94.5
Shell Rg shell_rg32.79
Envelope Rg envelope_rg28.13
Shape Rg shape_rg28.24
Total Rg total_rg28.71
Total atoms total_atoms3498
Residues n_residues427
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 dmax94.2
Rg (real space) rg_real28.65
Rg uncertainty (real space) rg_real_error0.62
I(0) (real space) i0_real3.8580e+07
I(0) uncertainty (real space) i0_real_error5.9170e+05
Rg (reciprocal space) rg_reciprocal28.56
I(0) (reciprocal space) i0_reciprocal38570000.0000
Solution quality estimate total_estimate0.8545
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary26.9
Skewness Skewness skewness0.512
Kurtosis Kurtosis kurtosis-0.414
Angular range angular_range— – 0.2800 −1
Current regularization parameter α current_alpha0.0001
Highest regularization parameter α highest_alpha9225000.0000
Real-space data points n_real_points57
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.810; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.782; Smooth: 0.891

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

Domain ID domain_id8qelA01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily140 — Nucleic acid-binding proteins
Domain ID domain_id8qelA02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology150 — DNA polymerase; domain 1
Homologous superfamily homologous superfamily190 — Translation initiation factor 2; subunit 1; domain 2
Domain ID domain_id8qelB01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1
Domain ID domain_id8qelB02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1

8. Citations (1)

9. Files and Curves (10)