8rrz

Crystal structure of SYK kinase in complex with compound 1

Method: X-RAY DIFFRACTION Dmax: 64.5 Å Quality: GOOD

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

Tyrosine-protein kinase SYK

Homo sapiens

UniProt P43405

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 355–635 Non-standard monomer:Yes (specific site not provided by mmCIF) A1H2Y N-[(2S)-1-(azetidin-1-yl)propan-2-yl]-3-{2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl}-1-methyl-1H-pyrazole-5-carboxamide × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION;pH 6.5;277 K;20% PEG 3350, 0.1 M bis tris propane pH 6.5, 0.2 M Na formate 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.

92 other PDB entries and 134 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name KSYK_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 2–282; UniProt 355–635

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 8rrz

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id8rrz
Deposition date deposition_date2024-01-24
Structure title titleCrystal structure of SYK kinase in complex with compound 1
Keywords keywordskinase, inhibitor, TRANSFERASE; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier19.87
Radius of gyration Rg (electron density) rg_electron18.88
Forward intensity I(0) i016352500.00
Molecular weight molecular_weight31147.0 kDa
Excluded volume excluded_volume39176 ų
Envelope volume envelope_volume45061 ų
Hydration-shell volume shell_volume19844 ų
Envelope diameter envelope_diameter66.6
Shell Rg shell_rg25.42
Envelope Rg envelope_rg19.23
Shape Rg shape_rg18.84
Total Rg total_rg19.90
Total atoms total_atoms4358
Residues n_residues260
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 dmax64.5
Rg (real space) rg_real19.78
Rg uncertainty (real space) rg_real_error0.43
I(0) (real space) i0_real1.6350e+07
I(0) uncertainty (real space) i0_real_error2.0570e+05
Rg (reciprocal space) rg_reciprocal19.80
I(0) (reciprocal space) i0_reciprocal16350000.0000
Solution quality estimate total_estimate0.8109
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary23.6
Skewness Skewness skewness0.240
Kurtosis Kurtosis kurtosis-0.381
Angular range angular_range— – 0.4000 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha6399000.0000
Real-space data points n_real_points72
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.847; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

8. Citations (1)

9. Files and Curves (10)