6gl3

Crystal structure of human Phosphatidylinositol 4-kinase III beta (PI4KIIIbeta) in complex with ligand 44

Method: X-RAY DIFFRACTION Dmax: 96.0 Å Quality: EXCELLENT

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

Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta

Homo sapiens

UniProt Q9UBF8

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 317–428 Chain A; UniProt 532–798 Not recorded EMW (3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;0.2 M sodium citrate, 22% (w/v) PEG3350, 10 mM Manganese(II)chloride Resolution 2.77 Å R-free 0.333
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 317–428 Chain B; UniProt 532–798 Not recorded No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;0.2 M sodium citrate, 22% (w/v) PEG3350, 10 mM Manganese(II)chloride Resolution 2.77 Å R-free 0.333

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.

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

View Construct and Data Evidence
UniProt name PI4KB_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 2–113; UniProt 317–428 Author chain A; PDBConstruct 120–386; UniProt 532–798 Author chain B; PDBConstruct 2–113; UniProt 317–428 Author chain B; PDBConstruct 120–386; UniProt 532–798

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 6gl3

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6gl3
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6gl3
Deposition date deposition_date2018-05-22
Structure title titleCrystal structure of human Phosphatidylinositol 4-kinase III beta (PI4KIIIbeta) in complex with ligand 44
Keywords keywords;PI4K KINASE, Immunosuppressive, Phosphoinositol 4-kinase IIIbeta, transplantation, human mixed lymphocyte reaction, selectivity profile, binding mode, solubility, IMMUNE SYSTEM ;; IMMUNE SYSTEM
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier30.03
Radius of gyration Rg (electron density) rg_electron28.90
Forward intensity I(0) i088189000.00
Molecular weight molecular_weight75619.0 kDa
Excluded volume excluded_volume95613 ų
Envelope volume envelope_volume123590 ų
Hydration-shell volume shell_volume35610 ų
Envelope diameter envelope_diameter96.0
Shell Rg shell_rg36.11
Envelope Rg envelope_rg28.97
Shape Rg shape_rg28.92
Total Rg total_rg29.59
Total atoms total_atoms5318
Residues n_residues655
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 dmax96.0
Rg (real space) rg_real29.95
Rg uncertainty (real space) rg_real_error0.65
I(0) (real space) i0_real8.8190e+07
I(0) uncertainty (real space) i0_real_error1.2410e+06
Rg (reciprocal space) rg_reciprocal29.99
I(0) (reciprocal space) i0_reciprocal88190000.0000
Solution quality estimate total_estimate0.9015
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary36.2
Skewness Skewness skewness0.235
Kurtosis Kurtosis kurtosis-0.478
Angular range angular_range— – 0.2650 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha19860000.0000
Real-space data points n_real_points54
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.930; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.924

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

8. Citations (1)

9. Files and Curves (10)