8osd

Crystal structure of the titin domain Fn3-49

Method: X-RAY DIFFRACTION Dmax: 72.1 Å Quality: GOOD

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

Titin

Homo sapiens

UniProt Q8WZ42

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 monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain A; UniProt 20511–20616 Not recorded No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293 K;30mM HEPES pH 7.5 150mM NaCl 1mM DTT 100mM Potassium thiocyanate 30% w/v PEG MME2000 Resolution 1.70 Å R-free 0.260
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 20511–20616 Not recorded No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293 K;30mM HEPES pH 7.5 150mM NaCl 1mM DTT 100mM Potassium thiocyanate 30% w/v PEG MME2000 Resolution 1.70 Å R-free 0.260

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.

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

View Construct and Data Evidence
UniProt name TITIN_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 4–109; UniProt 20511–20616 Author chain B; PDBConstruct 4–109; UniProt 20511–20616

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 8osd

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 8osd
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2. Structure Basics 2. Structure Basics

Entry ID entry_id8osd
Deposition date deposition_date2023-04-18
Structure title titleCrystal structure of the titin domain Fn3-49
Keywords keywordsTitin Fibronectin type III A-band STRUCTURAL PROTEIN, STRUCTURAL PROTEIN; STRUCTURAL PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier18.75
Radius of gyration Rg (electron density) rg_electron17.81
Forward intensity I(0) i09261900.00
Molecular weight molecular_weight22861.0 kDa
Excluded volume excluded_volume28726 ų
Envelope volume envelope_volume33166 ų
Hydration-shell volume shell_volume15968 ų
Envelope diameter envelope_diameter71.2
Shell Rg shell_rg23.49
Envelope Rg envelope_rg18.20
Shape Rg shape_rg17.79
Total Rg total_rg18.79
Total atoms total_atoms3155
Residues n_residues206
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 dmax72.1
Rg (real space) rg_real18.70
Rg uncertainty (real space) rg_real_error0.70
I(0) (real space) i0_real9.2620e+06
I(0) uncertainty (real space) i0_real_error1.2450e+05
Rg (reciprocal space) rg_reciprocal18.70
I(0) (reciprocal space) i0_reciprocal9262000.0000
Solution quality estimate total_estimate0.8141
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary70.1
Skewness Skewness skewness0.278
Kurtosis Kurtosis kurtosis-0.189
Angular range angular_range— – 0.4250 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha2244000.0000
Real-space data points n_real_points74
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.571; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.867; Smooth: 1.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (2)

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id8osdA01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8osdB01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)