5khy

Crystal structure of oxime-linked K6 diubiquitin

Method: X-RAY DIFFRACTION Dmax: 58.9 Å Quality: GOOD

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

Polyubiquitin-B

Homo sapiens

UniProt P0CG47

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 1–73 Chain B; UniProt 1–75 Mutation:Unnatural aminoxylysine amino acid at position 6 Non-standard monomer:Yes (specific site not provided by mmCIF) Mutation:unnatural residue 76 oxime linked to chain A ZN ZINC ION × 10 ETA ETHANOLAMINE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.5;295 K;PEG 3350, Zinc acetate Resolution 3.50 Å R-free 0.331

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.

278 other PDB entries and 429 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name UBB_HUMAN
Isoform
PDB entities 1, 2
Chains and sequence ranges Author chain A; PDBConstruct 1–73; UniProt 1–73 Author chain B; PDBConstruct 1–75; UniProt 1–75

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 5khy

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5khy
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id5khy
Deposition date deposition_date2016-06-16
Structure title titleCrystal structure of oxime-linked K6 diubiquitin
Keywords keywordsUbiquitin, oxime, 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_guinier18.25
Radius of gyration Rg (electron density) rg_electron17.21
Forward intensity I(0) i05556190.00
Molecular weight molecular_weight15990.0 kDa
Excluded volume excluded_volume19437 ų
Envelope volume envelope_volume23580 ų
Hydration-shell volume shell_volume12541 ų
Envelope diameter envelope_diameter58.1
Shell Rg shell_rg21.54
Envelope Rg envelope_rg17.13
Shape Rg shape_rg17.08
Total Rg total_rg18.30
Total atoms total_atoms1091
Residues n_residues147
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 dmax58.9
Rg (real space) rg_real18.29
Rg uncertainty (real space) rg_real_error0.50
I(0) (real space) i0_real5.5560e+06
I(0) uncertainty (real space) i0_real_error7.2870e+04
Rg (reciprocal space) rg_reciprocal18.29
I(0) (reciprocal space) i0_reciprocal5556000.0000
Solution quality estimate total_estimate0.8761
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary18.3
Skewness Skewness skewness0.407
Kurtosis Kurtosis kurtosis-0.398
Angular range angular_range— – 0.4350 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha1605000.0000
Real-space data points n_real_points75
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.802; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.995

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

8. Citations (1)

9. Files and Curves (10)