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2f68

Crystal structure of collagen adhesin (CNA) from S. aureus

Method: X-RAY DIFFRACTION Dmax: 83.3 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Collagen adhesin

Staphylococcus aureus

UniProt Q53654

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 X； UniProt 30–334 Fragment：Extracellular domain No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.2；295 K；3.2 M Ammonium Sulfate, 0.1 M NaCl, 0.05 M Hepes, PH. 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 1.95 Å R-free 0.253

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.

Other PDB Difference from Current Entry 2F68 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1AMX COLLAGEN-BINDING DOMAIN FROM A STAPHYLOCOCCUS AUREUS ADHESIN Deposited 1997-06-19 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 151–318（168 aa） Fragment：CBD (151 - 318)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.7；pH 6.7
Resolution 2.00 Å R-free 0.249
1D2O CRYSTAL STRUCTURE OF A SINGLE B REPEAT UNIT (B1) OF COLLAGEN BINDING SURFACE PROTEIN (CNA) OF STAPHYLOCOCCUS AUREUS. Deposited 1999-09-25 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 533–719（187 aa） Fragment：SINGLE B REPEAT UNIT
Chain B 533–719（187 aa） Fragment：SINGLE B REPEAT UNIT
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；Ammonium sulfate, Succinic acid buffer, BOG , pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.256
1D2P CRYSTAL STRUCTURE OF TWO B REPEAT UNITS (B1B2) OF THE COLLAGEN BINDING PROTEIN (CNA) OF STAPHYLOCOCCUS AUREUS Deposited 1999-09-25 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 533–905（373 aa） Fragment：B REPEAT REGIONS
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；PEG6000, Calcium chloride, sodium cacodylate , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.50 Å R-free 0.245
2F6A Collagen Adhesin and Collagen Complex Structure Deposited 2005-11-28 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 30–330（301 aa） Fragment：extracellular domain
Chain C 30–330（301 aa） Fragment：extracellular domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.35；295 K；0.8 M ammonium sulfate, 0.5 M sodium acetate, PH 6.5, pH 7.35, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 3.29 Å R-free 0.308
2F6A Collagen Adhesin and Collagen Complex Structure Deposited 2005-11-28 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 30–330（301 aa） Fragment：extracellular domain
Chain D 30–330（301 aa） Fragment：extracellular domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.35；295 K；0.8 M ammonium sulfate, 0.5 M sodium acetate, PH 6.5, pH 7.35, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 3.29 Å R-free 0.308
2F6A Collagen Adhesin and Collagen Complex Structure Deposited 2005-11-28 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 20 PDB declaration: eicosameric
Chain A 30–330（301 aa） Fragment：extracellular domain
Chain B 30–330（301 aa） Fragment：extracellular domain
Chain C 30–330（301 aa） Fragment：extracellular domain
Chain D 30–330（301 aa） Fragment：extracellular domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.35；295 K；0.8 M ammonium sulfate, 0.5 M sodium acetate, PH 6.5, pH 7.35, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 3.29 Å R-free 0.308

4 other PDB entries and 6 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CNA_STAAU
Isoform —
PDB entities 1
Chains and sequence ranges Author chain X； PDBConstruct 9–313； UniProt 30–334

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 2f68

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2f68
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2. Structure Basics 2. Structure Basics

Entry ID entry_id2f68
Deposition date deposition_date2005-11-28
Structure title titleCrystal structure of collagen adhesin (CNA) from S. aureus
Keywords keywordsBeta barrel, domain swap, CELL ADHESION; CELL ADHESION
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier24.73 Å
Radius of gyration Rg (electron density) rg_electron24.25 Å
Forward intensity I(0) i019844200.00
Molecular weight molecular_weight32853.0 kDa
Excluded volume excluded_volume40678 ų
Envelope volume envelope_volume51196 ų
Hydration-shell volume shell_volume18983 ų
Envelope diameter envelope_diameter86.6 Å
Shell Rg shell_rg29.64 Å
Envelope Rg envelope_rg24.37 Å
Shape Rg shape_rg24.24 Å
Total Rg total_rg24.97 Å
Total atoms total_atoms2316
Residues n_residues300
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−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
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax83.3 Å
Rg (real space) rg_real24.95 Å
Rg uncertainty (real space) rg_real_error0.61 Å
I(0) (real space) i0_real1.9840e+07
I(0) uncertainty (real space) i0_real_error2.6320e+05
Rg (reciprocal space) rg_reciprocal24.90 Å
I(0) (reciprocal space) i0_reciprocal19840000.0000
Solution quality estimate total_estimate0.8565
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary22.5 Å
Skewness Skewness skewness0.486
Kurtosis Kurtosis kurtosis-0.350
Angular range angular_range— – 0.3200 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha4845000.0000
Real-space data points n_real_points64
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.831; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.701; Smooth: 0.937
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (2)

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7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id2f68X01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily1280 —
Domain ID domain_id2f68X02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily740 —
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8. Citations (1)

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9. Files and Curves (10)