7rec

Structure of Thr354Asn, Glu355Gln, Thr412Asn, Ile414Met, Ile464His, and Phe467Met mutant human CaMKII alpha hub bound to 5-HDC

Method: X-RAY DIFFRACTION Dmax: 119.3 Å Quality: GOOD

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

Calcium/calmodulin-dependent protein kinase type II subunit alpha

Homo sapiens

UniProt Q9UQM7

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 homooligomer Homooligomer Protein × 14 PDB declaration: tetradecameric(14) Consistent with protein copy count Chain A; UniProt 345–475 Chain B; UniProt 345–475 Chain C; UniProt 345–475 Chain D; UniProt 345–475 Chain E; UniProt 345–475 Chain F; UniProt 345–475 Chain G; UniProt 345–475 Fragment:hub (UNP residues 345-475) Mutation:T354N, E355Q, T412N, I414M, I464H, F467M 7ZV 5-hydroxydiclofenac × 12 NA SODIUM ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 8.1;298 K;100 nL protein + compound in 25 mM Tris, 150 mM potassium chloride, 2 mM DTT, 1 mM TCEP, 10% v/v glycerol, pH 8.0, 10% DMSO + 100 nL well solution (200 mM potassium acetate, 20% w/v PEG3350, pH 8.1), equilibrated against 45 uL well solution Resolution 2.20 Å R-free 0.244

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.

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

View Construct and Data Evidence
UniProt name KCC2A_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 5–135; UniProt 345–475 Author chain B; PDBConstruct 5–135; UniProt 345–475 Author chain C; PDBConstruct 5–135; UniProt 345–475 Author chain D; PDBConstruct 5–135; UniProt 345–475 Author chain E; PDBConstruct 5–135; UniProt 345–475 Author chain F; PDBConstruct 5–135; UniProt 345–475 Author chain G; PDBConstruct 5–135; UniProt 345–475

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 7rec

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 7rec
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2. Structure Basics 2. Structure Basics

Entry ID entry_id7rec
Deposition date deposition_date2021-07-12
Structure title titleStructure of Thr354Asn, Glu355Gln, Thr412Asn, Ile414Met, Ile464His, and Phe467Met mutant human CaMKII alpha hub bound to 5-HDC
Keywords keywordsCaMKII hub, oligomer, SIGNALING PROTEIN; SIGNALING PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier35.61
Radius of gyration Rg (electron density) rg_electron35.25
Forward intensity I(0) i0186015000.00
Molecular weight molecular_weight105460.0 kDa
Excluded volume excluded_volume129990 ų
Envelope volume envelope_volume176970 ų
Hydration-shell volume shell_volume42611 ų
Envelope diameter envelope_diameter123.8
Shell Rg shell_rg41.12
Envelope Rg envelope_rg34.77
Shape Rg shape_rg35.21
Total Rg total_rg35.78
Total atoms total_atoms7404
Residues n_residues899
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 dmax119.3
Rg (real space) rg_real35.71
Rg uncertainty (real space) rg_real_error0.85
I(0) (real space) i0_real1.8600e+08
I(0) uncertainty (real space) i0_real_error2.8550e+06
Rg (reciprocal space) rg_reciprocal35.65
I(0) (reciprocal space) i0_reciprocal186000000.0000
Solution quality estimate total_estimate0.8799
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary40.7
Skewness Skewness skewness0.362
Kurtosis Kurtosis kurtosis-0.461
Angular range angular_range— – 0.2200 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha22530000.0000
Real-space data points n_real_points45
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.876; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.922; Smooth: 0.883

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 13 domains

SCOP 2.08 (13 domains)

Domain ID domain_idd7reca1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.17 — Cystatin-like
Superfamily Superfamily superfamilyd.17.4 — NTF2-like
Family Family familyd.17.4.7 — Association domain of calcium/calmodulin-dependent protein kinase type II alpha subunit, CAMK2A
Domain ID domain_idd7reca2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd7recb_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.17 — Cystatin-like
Superfamily Superfamily superfamilyd.17.4 — NTF2-like
Family Family familyd.17.4.7 — Association domain of calcium/calmodulin-dependent protein kinase type II alpha subunit, CAMK2A
Domain ID domain_idd7recc1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.17 — Cystatin-like
Superfamily Superfamily superfamilyd.17.4 — NTF2-like
Family Family familyd.17.4.7 — Association domain of calcium/calmodulin-dependent protein kinase type II alpha subunit, CAMK2A
Domain ID domain_idd7recc2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd7recd1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.17 — Cystatin-like
Superfamily Superfamily superfamilyd.17.4 — NTF2-like
Family Family familyd.17.4.7 — Association domain of calcium/calmodulin-dependent protein kinase type II alpha subunit, CAMK2A
Domain ID domain_idd7recd2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd7rece1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.17 — Cystatin-like
Superfamily Superfamily superfamilyd.17.4 — NTF2-like
Family Family familyd.17.4.7 — Association domain of calcium/calmodulin-dependent protein kinase type II alpha subunit, CAMK2A
Domain ID domain_idd7rece2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd7recf1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.17 — Cystatin-like
Superfamily Superfamily superfamilyd.17.4 — NTF2-like
Family Family familyd.17.4.7 — Association domain of calcium/calmodulin-dependent protein kinase type II alpha subunit, CAMK2A
Domain ID domain_idd7recf2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd7recg1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.17 — Cystatin-like
Superfamily Superfamily superfamilyd.17.4 — NTF2-like
Family Family familyd.17.4.7 — Association domain of calcium/calmodulin-dependent protein kinase type II alpha subunit, CAMK2A
Domain ID domain_idd7recg2
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)