3uex

Bovine beta-lactoglobulin complex with stearic acid

Method: X-RAY DIFFRACTION Dmax: 49.7 Å Quality: GOOD

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

Beta-lactoglobulin

OrganismNot specified

UniProt P02754

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 17–178 Not recorded STE STEARIC ACID × 2 EOH ETHANOL × 6 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;1.34 M trisodium citrarte, 0.1 Tris-HCl buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 239K, temperature 293K Resolution 2.10 Å R-free 0.284
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain A; UniProt 17–178 Not recorded STE STEARIC ACID × 1 EOH ETHANOL × 3 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;1.34 M trisodium citrarte, 0.1 Tris-HCl buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 239K, temperature 293K Resolution 2.10 Å R-free 0.284

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.

101 other PDB entries and 122 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name LACB_BOVIN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–162; UniProt 17–178

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 3uex

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3uex
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id3uex
Deposition date deposition_date2011-10-31
Structure title titleBovine beta-lactoglobulin complex with stearic acid
Keywords keywordsbeta protein, beta barrel, lipocalin, bovine milk, TRANSPORT PROTEIN; TRANSPORT PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier16.17
Radius of gyration Rg (electron density) rg_electron14.72
Forward intensity I(0) i05800550.00
Molecular weight molecular_weight18410.0 kDa
Excluded volume excluded_volume23526 ų
Envelope volume envelope_volume26050 ų
Hydration-shell volume shell_volume14601 ų
Envelope diameter envelope_diameter48.5
Shell Rg shell_rg21.03
Envelope Rg envelope_rg15.04
Shape Rg shape_rg14.72
Total Rg total_rg15.93
Total atoms total_atoms1289
Residues n_residues159
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 dmax49.7
Rg (real space) rg_real16.01
Rg uncertainty (real space) rg_real_error0.18
I(0) (real space) i0_real5.8010e+06
I(0) uncertainty (real space) i0_real_error6.4520e+04
Rg (reciprocal space) rg_reciprocal16.03
I(0) (reciprocal space) i0_reciprocal5801000.0000
Solution quality estimate total_estimate0.7736
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary22.3
Skewness Skewness skewness-0.007
Kurtosis Kurtosis kurtosis-0.480
Angular range angular_range— – 0.4900 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha1382000.0000
Real-space data points n_real_points79
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.879; Stabil: 1.000; Sysdev: 0.485; Positv: 1.000; Valcen: 0.972; Smooth: 0.987

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd3uexa_
Class classb — All beta proteins
Fold Fold foldb.60 — Lipocalins
Superfamily Superfamily superfamilyb.60.1 — Lipocalins
Family Family familyb.60.1.1 — Retinol binding protein-like

CATH v4.4 (1 domains)

Domain ID domain_id3uexA00
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology128 — Lipocalin
Homologous superfamily homologous superfamily20 — Calycin beta-barrel core domain

8. Citations (1)

9. Files and Curves (10)