4fjp

Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Naproxen at 1.68 A Resolution

Method: X-RAY DIFFRACTION Dmax: 66.7 Å Quality: REASONABLE

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 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 NPS (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid × 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 1.68 Å R-free 0.208

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 4fjp

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4fjp
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4fjp
Deposition date deposition_date2012-06-12
Structure title titleCrystal Structure of C-lobe of Bovine lactoferrin Complexed with Naproxen at 1.68 A Resolution
Keywords keywordsC-Lobe of lactoferrin, Iron binding protein, Naproxen, HYDROLASE; HYDROLASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier20.54
Radius of gyration Rg (electron density) rg_electron19.44
Forward intensity I(0) i027921800.00
Molecular weight molecular_weight38805.0 kDa
Excluded volume excluded_volume47804 ų
Envelope volume envelope_volume55062 ų
Hydration-shell volume shell_volume23005 ų
Envelope diameter envelope_diameter66.0
Shell Rg shell_rg26.48
Envelope Rg envelope_rg19.63
Shape Rg shape_rg19.40
Total Rg total_rg20.40
Total atoms total_atoms2704
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 dmax66.7
Rg (real space) rg_real20.41
Rg uncertainty (real space) rg_real_error0.47
I(0) (real space) i0_real2.7920e+07
I(0) uncertainty (real space) i0_real_error3.5580e+05
Rg (reciprocal space) rg_reciprocal20.44
I(0) (reciprocal space) i0_reciprocal27920000.0000
Solution quality estimate total_estimate0.7257
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks4
Primary peak position r_peak_primary26.1
Skewness Skewness skewness0.166
Kurtosis Kurtosis kurtosis-0.436
Angular range angular_range— – 0.3850 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha5931000.0000
Real-space data points n_real_points70
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.587; Stabil: 0.894; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; 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_id4fjpA01
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_id4fjpA02
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)