2rkz

Crystal structure of the second and third fibronectin f1 modules in complex with a fragment of staphylococcus aureus fnbpa-1

Method: X-RAY DIFFRACTION Dmax: 95.2 Å Quality: GOOD

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

Fibronectin

Homo sapiens

UniProt P02751

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 93–182 Fragment:UNP residues 93-182 peptide from Fibronectin-binding protein A × 1 (P14738) SIN SUCCINIC ACID × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7;291 K;0.8M SUCCINIC ACID, pH7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K Resolution 2.00 Å R-free 0.261
2 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain B; UniProt 93–182 Fragment:UNP residues 93-182 peptide from Fibronectin-binding protein A × 1 (P14738) SIN SUCCINIC ACID × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7;291 K;0.8M SUCCINIC ACID, pH7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K Resolution 2.00 Å R-free 0.261
3 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain C; UniProt 93–182 Fragment:UNP residues 93-182 peptide from Fibronectin-binding protein A × 1 (P14738) SIN SUCCINIC ACID × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7;291 K;0.8M SUCCINIC ACID, pH7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K Resolution 2.00 Å R-free 0.261
4 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain D; UniProt 93–182 Fragment:UNP residues 93-182 peptide from Fibronectin-binding protein A × 1 (P14738) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7;291 K;0.8M SUCCINIC ACID, pH7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K Resolution 2.00 Å R-free 0.261
5 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain E; UniProt 93–182 Fragment:UNP residues 93-182 peptide from Fibronectin-binding protein A × 1 (P14738) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7;291 K;0.8M SUCCINIC ACID, pH7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K Resolution 2.00 Å R-free 0.261
6 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain F; UniProt 93–182 Fragment:UNP residues 93-182 peptide from Fibronectin-binding protein A × 1 (P14738) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7;291 K;0.8M SUCCINIC ACID, pH7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K Resolution 2.00 Å R-free 0.261

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 98 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name FINC_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–90; UniProt 93–182 Author chain B; PDBConstruct 1–90; UniProt 93–182 Author chain C; PDBConstruct 1–90; UniProt 93–182 Author chain D; PDBConstruct 1–90; UniProt 93–182 Author chain E; PDBConstruct 1–90; UniProt 93–182 Author chain F; PDBConstruct 1–90; UniProt 93–182

peptide from Fibronectin-binding protein A

OrganismNot specified

UniProt P14738

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain M; UniProt 529–549 Fragment:UNP residues 529-549 Non-standard monomer:Yes (specific site not provided by mmCIF) Fibronectin × 1 (P02751) SIN SUCCINIC ACID × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7;291 K;0.8M SUCCINIC ACID, pH7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K Resolution 2.00 Å R-free 0.261
2 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain N; UniProt 529–549 Fragment:UNP residues 529-549 Non-standard monomer:Yes (specific site not provided by mmCIF) Fibronectin × 1 (P02751) SIN SUCCINIC ACID × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7;291 K;0.8M SUCCINIC ACID, pH7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K Resolution 2.00 Å R-free 0.261
3 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain O; UniProt 529–549 Fragment:UNP residues 529-549 Non-standard monomer:Yes (specific site not provided by mmCIF) Fibronectin × 1 (P02751) SIN SUCCINIC ACID × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7;291 K;0.8M SUCCINIC ACID, pH7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K Resolution 2.00 Å R-free 0.261
4 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain P; UniProt 529–549 Fragment:UNP residues 529-549 Non-standard monomer:Yes (specific site not provided by mmCIF) Fibronectin × 1 (P02751) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7;291 K;0.8M SUCCINIC ACID, pH7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K Resolution 2.00 Å R-free 0.261
5 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain Q; UniProt 529–549 Fragment:UNP residues 529-549 Non-standard monomer:Yes (specific site not provided by mmCIF) Fibronectin × 1 (P02751) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7;291 K;0.8M SUCCINIC ACID, pH7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K Resolution 2.00 Å R-free 0.261
6 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain R; UniProt 529–549 Fragment:UNP residues 529-549 Non-standard monomer:Yes (specific site not provided by mmCIF) Fibronectin × 1 (P02751) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7;291 K;0.8M SUCCINIC ACID, pH7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K Resolution 2.00 Å R-free 0.261

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.

5 other PDB entries and 13 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name FNBA_STAA8
Isoform
PDB entities 2
Chains and sequence ranges Author chain M; PDBConstruct 2–22; UniProt 529–549 Author chain N; PDBConstruct 2–22; UniProt 529–549 Author chain O; PDBConstruct 2–22; UniProt 529–549 Author chain P; PDBConstruct 2–22; UniProt 529–549 Author chain Q; PDBConstruct 2–22; UniProt 529–549 Author chain R; PDBConstruct 2–22; UniProt 529–549

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 2rkz

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id2rkz
Deposition date deposition_date2007-10-18
Structure title titleCrystal structure of the second and third fibronectin f1 modules in complex with a fragment of staphylococcus aureus fnbpa-1
Keywords keywords;fibrronectin, 2F13F1, beta zipper, staphylococcus aureus, Acute phase, Alternative splicing, Cell adhesion, Extracellular matrix, Glycoprotein, Heparin-binding, Phosphorylation, Pyrrolidone carboxylic acid, Secreted, Sulfation, Cell wall, Peptidoglycan-anchor, Virulence ;; CELL ADHESION
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier28.66
Radius of gyration Rg (electron density) rg_electron28.22
Forward intensity I(0) i0100911000.00
Molecular weight molecular_weight72878.0 kDa
Excluded volume excluded_volume88474 ų
Envelope volume envelope_volume115740 ų
Hydration-shell volume shell_volume34890 ų
Envelope diameter envelope_diameter100.0
Shell Rg shell_rg34.87
Envelope Rg envelope_rg28.18
Shape Rg shape_rg28.22
Total Rg total_rg28.83
Total atoms total_atoms5081
Residues n_residues641
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 dmax95.2
Rg (real space) rg_real28.61
Rg uncertainty (real space) rg_real_error0.86
I(0) (real space) i0_real1.0090e+08
I(0) uncertainty (real space) i0_real_error1.3780e+06
Rg (reciprocal space) rg_reciprocal28.63
I(0) (reciprocal space) i0_reciprocal100900000.0000
Solution quality estimate total_estimate0.8839
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary34.6
Skewness Skewness skewness0.316
Kurtosis Kurtosis kurtosis-0.205
Angular range angular_range— – 0.2750 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha6281000.0000
Real-space data points n_real_points56
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.840; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.971

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 24 domains

SCOP 2.08 (12 domains)

Domain ID domain_idd2rkza1
Class classg — Small proteins
Fold Fold foldg.27 — FnI-like domain
Superfamily Superfamily superfamilyg.27.1 — FnI-like domain
Family Family familyg.27.1.1 — Fibronectin type I module
Domain ID domain_idd2rkza2
Class classg — Small proteins
Fold Fold foldg.27 — FnI-like domain
Superfamily Superfamily superfamilyg.27.1 — FnI-like domain
Family Family familyg.27.1.1 — Fibronectin type I module
Domain ID domain_idd2rkzb1
Class classg — Small proteins
Fold Fold foldg.27 — FnI-like domain
Superfamily Superfamily superfamilyg.27.1 — FnI-like domain
Family Family familyg.27.1.1 — Fibronectin type I module
Domain ID domain_idd2rkzb2
Class classg — Small proteins
Fold Fold foldg.27 — FnI-like domain
Superfamily Superfamily superfamilyg.27.1 — FnI-like domain
Family Family familyg.27.1.1 — Fibronectin type I module
Domain ID domain_idd2rkzc1
Class classg — Small proteins
Fold Fold foldg.27 — FnI-like domain
Superfamily Superfamily superfamilyg.27.1 — FnI-like domain
Family Family familyg.27.1.1 — Fibronectin type I module
Domain ID domain_idd2rkzc2
Class classg — Small proteins
Fold Fold foldg.27 — FnI-like domain
Superfamily Superfamily superfamilyg.27.1 — FnI-like domain
Family Family familyg.27.1.1 — Fibronectin type I module
Domain ID domain_idd2rkzd1
Class classg — Small proteins
Fold Fold foldg.27 — FnI-like domain
Superfamily Superfamily superfamilyg.27.1 — FnI-like domain
Family Family familyg.27.1.1 — Fibronectin type I module
Domain ID domain_idd2rkzd2
Class classg — Small proteins
Fold Fold foldg.27 — FnI-like domain
Superfamily Superfamily superfamilyg.27.1 — FnI-like domain
Family Family familyg.27.1.1 — Fibronectin type I module
Domain ID domain_idd2rkze1
Class classg — Small proteins
Fold Fold foldg.27 — FnI-like domain
Superfamily Superfamily superfamilyg.27.1 — FnI-like domain
Family Family familyg.27.1.1 — Fibronectin type I module
Domain ID domain_idd2rkze2
Class classg — Small proteins
Fold Fold foldg.27 — FnI-like domain
Superfamily Superfamily superfamilyg.27.1 — FnI-like domain
Family Family familyg.27.1.1 — Fibronectin type I module
Domain ID domain_idd2rkzf1
Class classg — Small proteins
Fold Fold foldg.27 — FnI-like domain
Superfamily Superfamily superfamilyg.27.1 — FnI-like domain
Family Family familyg.27.1.1 — Fibronectin type I module
Domain ID domain_idd2rkzf2
Class classg — Small proteins
Fold Fold foldg.27 — FnI-like domain
Superfamily Superfamily superfamilyg.27.1 — FnI-like domain
Family Family familyg.27.1.1 — Fibronectin type I module

CATH v4.4 (12 domains)

Domain ID domain_id2rkzA01
Class class2 — Mainly Beta
Architecture architecture10 — Ribbon
Topology topology70 — Complement Module; domain 1
Homologous superfamily homologous superfamily10 — Complement Module, domain 1
Domain ID domain_id2rkzA02
Class class2 — Mainly Beta
Architecture architecture10 — Ribbon
Topology topology70 — Complement Module; domain 1
Homologous superfamily homologous superfamily10 — Complement Module, domain 1
Domain ID domain_id2rkzB01
Class class2 — Mainly Beta
Architecture architecture10 — Ribbon
Topology topology70 — Complement Module; domain 1
Homologous superfamily homologous superfamily10 — Complement Module, domain 1
Domain ID domain_id2rkzB02
Class class2 — Mainly Beta
Architecture architecture10 — Ribbon
Topology topology70 — Complement Module; domain 1
Homologous superfamily homologous superfamily10 — Complement Module, domain 1
Domain ID domain_id2rkzC01
Class class2 — Mainly Beta
Architecture architecture10 — Ribbon
Topology topology70 — Complement Module; domain 1
Homologous superfamily homologous superfamily10 — Complement Module, domain 1
Domain ID domain_id2rkzC02
Class class2 — Mainly Beta
Architecture architecture10 — Ribbon
Topology topology70 — Complement Module; domain 1
Homologous superfamily homologous superfamily10 — Complement Module, domain 1
Domain ID domain_id2rkzD01
Class class2 — Mainly Beta
Architecture architecture10 — Ribbon
Topology topology70 — Complement Module; domain 1
Homologous superfamily homologous superfamily10 — Complement Module, domain 1
Domain ID domain_id2rkzD02
Class class2 — Mainly Beta
Architecture architecture10 — Ribbon
Topology topology70 — Complement Module; domain 1
Homologous superfamily homologous superfamily10 — Complement Module, domain 1
Domain ID domain_id2rkzE01
Class class2 — Mainly Beta
Architecture architecture10 — Ribbon
Topology topology70 — Complement Module; domain 1
Homologous superfamily homologous superfamily10 — Complement Module, domain 1
Domain ID domain_id2rkzE02
Class class2 — Mainly Beta
Architecture architecture10 — Ribbon
Topology topology70 — Complement Module; domain 1
Homologous superfamily homologous superfamily10 — Complement Module, domain 1
Domain ID domain_id2rkzF01
Class class2 — Mainly Beta
Architecture architecture10 — Ribbon
Topology topology70 — Complement Module; domain 1
Homologous superfamily homologous superfamily10 — Complement Module, domain 1
Domain ID domain_id2rkzF02
Class class2 — Mainly Beta
Architecture architecture10 — Ribbon
Topology topology70 — Complement Module; domain 1
Homologous superfamily homologous superfamily10 — Complement Module, domain 1

8. Citations (1)

9. Files and Curves (10)