4din

Novel Localization and Quaternary Structure of the PKA RI beta Holoenzyme

Method: X-RAY DIFFRACTION Dmax: 106.2 Å Quality: GOOD

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

cAMP-dependent protein kinase catalytic subunit alpha

Mus musculus

UniProt P05132

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 2–351 Non-standard monomer:Yes (specific site not provided by mmCIF) cAMP-dependent protein kinase type I-beta regulatory subunit × 1 (P31321) ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5.3;277 K;1.4 M ammonium sulfate, 0.1M Sodium Acetate pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K Resolution 3.70 Å R-free 0.293

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.

84 other PDB entries and 99 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name KAPCA_MOUSE
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–350; UniProt 2–351

cAMP-dependent protein kinase type I-beta regulatory subunit

Homo sapiens

UniProt P31321

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 1–381 Not recorded cAMP-dependent protein kinase catalytic subunit alpha × 1 (P05132) ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5.3;277 K;1.4 M ammonium sulfate, 0.1M Sodium Acetate pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K Resolution 3.70 Å R-free 0.293

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.

2 other PDB entries and 3 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name KAP1_HUMAN
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 1–381; UniProt 1–381

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 4din

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id4din
Deposition date deposition_date2012-01-31
Structure title titleNovel Localization and Quaternary Structure of the PKA RI beta Holoenzyme
Keywords keywordsisoform diversity, RIb2:C2 tetrameric complex, Transferase-Transport Protein complex; Transferase/Transport Protein
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier29.74
Radius of gyration Rg (electron density) rg_electron28.75
Forward intensity I(0) i094186000.00
Molecular weight molecular_weight76861.0 kDa
Excluded volume excluded_volume96363 ų
Envelope volume envelope_volume124280 ų
Hydration-shell volume shell_volume36065 ų
Envelope diameter envelope_diameter112.5
Shell Rg shell_rg35.61
Envelope Rg envelope_rg29.94
Shape Rg shape_rg28.73
Total Rg total_rg29.46
Total atoms total_atoms5426
Residues n_residues685
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 dmax106.2
Rg (real space) rg_real29.75
Rg uncertainty (real space) rg_real_error0.93
I(0) (real space) i0_real9.4190e+07
I(0) uncertainty (real space) i0_real_error1.6560e+06
Rg (reciprocal space) rg_reciprocal29.74
I(0) (reciprocal space) i0_reciprocal94190000.0000
Solution quality estimate total_estimate0.8561
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary104.2
Skewness Skewness skewness0.400
Kurtosis Kurtosis kurtosis-0.071
Angular range angular_range— – 0.2650 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha21140000.0000
Real-space data points n_real_points54
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.729; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.969

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

Domain ID domain_id4dinA01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1
Domain ID domain_id4dinA02
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_id4dinB01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily10 — Jelly Rolls
Domain ID domain_id4dinB02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily10 — Jelly Rolls

8. Citations (1)

9. Files and Curves (10)