4dgn

Crystal Structure of maize CK2 in complex with the inhibitor luteolin

Method: X-RAY DIFFRACTION Dmax: 69.0 Å Quality: GOOD

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

Casein kinase II subunit alpha

Zea mays

UniProt P28523

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 2–327 Non-standard monomer:Yes (specific site not provided by mmCIF) LU2 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION;pH 8;293 K;0.1 M Tris-HCl, 10-20% PEG 4000, 0.2 M Na-acetate, pH 8, VAPOR DIFFUSION, temperature 293K Resolution 1.75 Å R-free 0.214

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.

39 other PDB entries and 42 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CSK2A_MAIZE
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–326; UniProt 2–327

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 4dgn

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id4dgn
Deposition date deposition_date2012-01-26
Structure title titleCrystal Structure of maize CK2 in complex with the inhibitor luteolin
Keywords keywordsprotein kinase, TRANSFERASE-TRANSFERASE INHIBITOR complex; TRANSFERASE/TRANSFERASE INHIBITOR
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier21.59
Radius of gyration Rg (electron density) rg_electron20.28
Forward intensity I(0) i024468700.00
Molecular weight molecular_weight38815.0 kDa
Excluded volume excluded_volume49021 ų
Envelope volume envelope_volume56539 ų
Hydration-shell volume shell_volume22963 ų
Envelope diameter envelope_diameter69.6
Shell Rg shell_rg27.31
Envelope Rg envelope_rg20.66
Shape Rg shape_rg20.28
Total Rg total_rg21.24
Total atoms total_atoms2743
Residues n_residues325
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 dmax69.0
Rg (real space) rg_real21.50
Rg uncertainty (real space) rg_real_error0.30
I(0) (real space) i0_real2.4470e+07
I(0) uncertainty (real space) i0_real_error3.2680e+05
Rg (reciprocal space) rg_reciprocal21.51
I(0) (reciprocal space) i0_reciprocal24470000.0000
Solution quality estimate total_estimate0.8969
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary25.4
Skewness Skewness skewness0.254
Kurtosis Kurtosis kurtosis-0.351
Angular range angular_range— – 0.3700 −1
Current regularization parameter α current_alpha0.0003
Highest regularization parameter α highest_alpha6794000.0000
Real-space data points n_real_points69
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.887; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.994

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd4dgna_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamilyd.144.1 — Protein kinase-like (PK-like)
Family Family familyd.144.1.7 — Protein kinases, catalytic subunit

CATH v4.4 (2 domains)

Domain ID domain_id4dgnA01
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_id4dgnA02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1

8. Citations (1)

9. Files and Curves (10)