7em6

Crystal structure of the PI5P4Kbeta N203D-ITP complex

Method: X-RAY DIFFRACTION Dmax: 113.6 Å Quality: REASONABLE

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

Phosphatidylinositol 5-phosphate 4-kinase type-2 beta

Homo sapiens

UniProt P78356

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 × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 31–416 Chain B; UniProt 31–416 Mutation:N203D IDP INOSINE-5'-DIPHOSPHATE × 2 CZU [[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.1;293 K;9%(w/v) PEG4000, 0.1M sodium citrate pH 6.0, 0.1M magnesium acetate, 0.1M lithium acetate Resolution 2.95 Å R-free 0.268

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.

25 other PDB entries and 25 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name PI42B_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 8–393; UniProt 31–416 Author chain B; PDBConstruct 8–393; UniProt 31–416

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 7em6

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 7em6
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2. Structure Basics 2. Structure Basics

Entry ID entry_id7em6
Deposition date deposition_date2021-04-13
Structure title titleCrystal structure of the PI5P4Kbeta N203D-ITP complex
Keywords keywordsLipid Kinase, Phosphoinositide signaling, Transferase; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier32.31
Radius of gyration Rg (electron density) rg_electron32.08
Forward intensity I(0) i073498700.00
Molecular weight molecular_weight66940.0 kDa
Excluded volume excluded_volume83100 ų
Envelope volume envelope_volume110680 ų
Hydration-shell volume shell_volume30662 ų
Envelope diameter envelope_diameter109.8
Shell Rg shell_rg36.36
Envelope Rg envelope_rg32.71
Shape Rg shape_rg32.14
Total Rg total_rg32.25
Total atoms total_atoms4718
Residues n_residues612
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 dmax113.6
Rg (real space) rg_real32.78
Rg uncertainty (real space) rg_real_error1.05
I(0) (real space) i0_real7.3500e+07
I(0) uncertainty (real space) i0_real_error1.4190e+06
Rg (reciprocal space) rg_reciprocal32.59
I(0) (reciprocal space) i0_reciprocal73490000.0000
Solution quality estimate total_estimate0.7110
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary27.8
Skewness Skewness skewness0.587
Kurtosis Kurtosis kurtosis-0.385
Angular range angular_range— – 0.2450 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha44250000.0000
Real-space data points n_real_points50
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.555; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.576; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id7em6A01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology800 — Phosphatidylinositol Phosphate Kinase II Beta
Homologous superfamily homologous superfamily10 — Phosphatidylinositol Phosphate Kinase II Beta
Domain ID domain_id7em6B01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology800 — Phosphatidylinositol Phosphate Kinase II Beta
Homologous superfamily homologous superfamily10 — Phosphatidylinositol Phosphate Kinase II Beta

8. Citations (1)

9. Files and Curves (10)