3u8q

Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Phenyl-Propanolamine at 1.97 A Resolution

Method: X-RAY DIFFRACTION Dmax: 62.7 Å Quality: GOOD

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

Lactotransferrin

OrganismNot specified

UniProt P24627

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Other combination Homooligomer Protein × 2 其他Polymer 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 361–695 Chain B; UniProt 700–705 Fragment:C-lobe, UNP residues 361-695 Fragment:UNP residues 700-705 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FE FE (III) ION × 1 ZN ZINC ION × 2 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 NPU (1R,2R)-2-amino-1-phenylpropan-1-ol × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.5;298 K;0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.97 Å R-free 0.198

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.

86 other PDB entries and 89 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name TRFL_BOVIN
Isoform
PDB entities 1, 2
Chains and sequence ranges Author chain A; PDBConstruct 1–335; UniProt 361–695 Author chain B; PDBConstruct 1–6; UniProt 700–705

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 3u8q

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3u8q
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3u8q
Deposition date deposition_date2011-10-17
Structure title titleCrystal Structure of C-lobe of Bovine lactoferrin Complexed with Phenyl-Propanolamine at 1.97 A Resolution
Keywords keywordsC-Lobe, Phenyl-propanolamine, Iron binding protein, METAL BINDING PROTEIN; METAL BINDING PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier20.49
Radius of gyration Rg (electron density) rg_electron19.41
Forward intensity I(0) i027747700.00
Molecular weight molecular_weight38709.0 kDa
Excluded volume excluded_volume47687 ų
Envelope volume envelope_volume54850 ų
Hydration-shell volume shell_volume22950 ų
Envelope diameter envelope_diameter64.4
Shell Rg shell_rg26.37
Envelope Rg envelope_rg19.59
Shape Rg shape_rg19.38
Total Rg total_rg20.36
Total atoms total_atoms2697
Residues n_residues341
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 dmax62.7
Rg (real space) rg_real20.36
Rg uncertainty (real space) rg_real_error0.31
I(0) (real space) i0_real2.7750e+07
I(0) uncertainty (real space) i0_real_error3.2430e+05
Rg (reciprocal space) rg_reciprocal20.39
I(0) (reciprocal space) i0_reciprocal27750000.0000
Solution quality estimate total_estimate0.8258
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary26.0
Skewness Skewness skewness0.153
Kurtosis Kurtosis kurtosis-0.423
Angular range angular_range— – 0.3900 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha5255000.0000
Real-space data points n_real_points71
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.917; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (10)

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id3u8qA01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology190 — D-Maltodextrin-Binding Protein; domain 2
Homologous superfamily homologous superfamily10 — Periplasmic binding protein-like II
Domain ID domain_id3u8qA02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology190 — D-Maltodextrin-Binding Protein; domain 2
Homologous superfamily homologous superfamily10 — Periplasmic binding protein-like II

8. Citations (1)

9. Files and Curves (10)