6hcs

Crystal structure of CaM-peptide complex containing AzF at position 108

Method: X-RAY DIFFRACTION Dmax: 96.5 Å Quality: GOOD

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

Calmodulin-1

Homo sapiens

UniProt P0DP23

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 1–149 Non-standard monomer:Yes (specific site not provided by mmCIF) Calcium/calmodulin-dependent protein kinase type II subunit beta × 1 (P08413) CA CALCIUM ION × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;293 K;PEG 6000, lithium chloride, sodium chloride Resolution 2.00 Å R-free 0.294
2 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain C; UniProt 1–149 Non-standard monomer:Yes (specific site not provided by mmCIF) Calcium/calmodulin-dependent protein kinase type II subunit beta × 1 (P08413) CA CALCIUM ION × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;293 K;PEG 6000, lithium chloride, sodium chloride Resolution 2.00 Å R-free 0.294
3 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain E; UniProt 1–149 Non-standard monomer:Yes (specific site not provided by mmCIF) Calcium/calmodulin-dependent protein kinase type II subunit beta × 1 (P08413) CA CALCIUM ION × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;293 K;PEG 6000, lithium chloride, sodium chloride Resolution 2.00 Å R-free 0.294
4 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain G; UniProt 1–149 Non-standard monomer:Yes (specific site not provided by mmCIF) Calcium/calmodulin-dependent protein kinase type II subunit beta × 1 (P08413) CA CALCIUM ION × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;293 K;PEG 6000, lithium chloride, sodium chloride Resolution 2.00 Å R-free 0.294

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.

213 other PDB entries and 276 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CALM1_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–149; UniProt 1–149 Author chain C; PDBConstruct 1–149; UniProt 1–149 Author chain E; PDBConstruct 1–149; UniProt 1–149 Author chain G; PDBConstruct 1–149; UniProt 1–149

Calcium/calmodulin-dependent protein kinase type II subunit beta

OrganismNot specified

UniProt P08413

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 291–315 Not recorded Calmodulin-1 × 1 (P0DP23) CA CALCIUM ION × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;293 K;PEG 6000, lithium chloride, sodium chloride Resolution 2.00 Å R-free 0.294
2 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain D; UniProt 291–315 Not recorded Calmodulin-1 × 1 (P0DP23) CA CALCIUM ION × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;293 K;PEG 6000, lithium chloride, sodium chloride Resolution 2.00 Å R-free 0.294
3 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain F; UniProt 291–315 Not recorded Calmodulin-1 × 1 (P0DP23) CA CALCIUM ION × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;293 K;PEG 6000, lithium chloride, sodium chloride Resolution 2.00 Å R-free 0.294
4 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain H; UniProt 291–315 Not recorded Calmodulin-1 × 1 (P0DP23) CA CALCIUM ION × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;293 K;PEG 6000, lithium chloride, sodium chloride Resolution 2.00 Å R-free 0.294

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.

4 other PDB entries and 4 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name KCC2B_RAT
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 1–25; UniProt 291–315 Author chain D; PDBConstruct 1–25; UniProt 291–315 Author chain F; PDBConstruct 1–25; UniProt 291–315 Author chain H; PDBConstruct 1–25; UniProt 291–315

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 6hcs

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6hcs
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6hcs
Deposition date deposition_date2018-08-16
Structure title titleCrystal structure of CaM-peptide complex containing AzF at position 108
Keywords keywordscalmodulin, unnatural amino acid, AzF, PROTEIN BINDING; PROTEIN BINDING
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier32.17
Radius of gyration Rg (electron density) rg_electron31.13
Forward intensity I(0) i090261900.00
Molecular weight molecular_weight71790.0 kDa
Excluded volume excluded_volume88307 ų
Envelope volume envelope_volume118220 ų
Hydration-shell volume shell_volume31779 ų
Envelope diameter envelope_diameter99.3
Shell Rg shell_rg38.16
Envelope Rg envelope_rg30.16
Shape Rg shape_rg31.14
Total Rg total_rg31.71
Total atoms total_atoms4996
Residues n_residues624
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 dmax96.5
Rg (real space) rg_real32.05
Rg uncertainty (real space) rg_real_error0.60
I(0) (real space) i0_real9.0260e+07
I(0) uncertainty (real space) i0_real_error1.4830e+06
Rg (reciprocal space) rg_reciprocal32.11
I(0) (reciprocal space) i0_reciprocal90270000.0000
Solution quality estimate total_estimate0.8932
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary45.3
Skewness Skewness skewness0.102
Kurtosis Kurtosis kurtosis-0.660
Angular range angular_range— – 0.2450 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha16090000.0000
Real-space data points n_real_points50
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.976; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.684

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

8. Citations (1)

9. Files and Curves (10)