2qej

Crystal structure of a Staphylococcus aureus protein (SSL7) in complex with Fc of human IgA1

Method: X-RAY DIFFRACTION Dmax: 110.0 Å Quality: GOOD

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

IG ALPHA-1 C REGION

Homo sapiens

UniProt P01876

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 Heteromer Protein × 4 其他Polymer 2 PDB declaration: pentameric(5) Count mismatch; review required Chain A; UniProt 123–336 Chain B; UniProt 123–336 Fragment:FC REGION SUPERANTIGEN-LIKE MOLECULE 7 × 2 (Q2YVR9) 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 5 CA CALCIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION;pH 6.5;291 K;12% PEG 8000, 66 mM sodium cacodylate pH 6.5, 130 mM calcium acetate, VAPOR DIFFUSION, temperature 291K Resolution 3.20 Å R-free 0.312

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.

14 other PDB entries and 17 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name IGHA1_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 3–216; UniProt 123–336 Author chain B; PDBConstruct 3–216; UniProt 123–336

SUPERANTIGEN-LIKE MOLECULE 7

Staphylococcus aureus

UniProt Q2YVR9

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 Heteromer Protein × 4 其他Polymer 2 PDB declaration: pentameric(5) Count mismatch; review required Chain C; UniProt 31–231 Chain D; UniProt 31–231 Fragment:SET1 IG ALPHA-1 C REGION × 2 (P01876) 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 5 CA CALCIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION;pH 6.5;291 K;12% PEG 8000, 66 mM sodium cacodylate pH 6.5, 130 mM calcium acetate, VAPOR DIFFUSION, temperature 291K Resolution 3.20 Å R-free 0.312

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.

No other PDB entry for the same UniProt protein was found.

View Construct and Data Evidence
UniProt name Q2YVR9_STAAB
Isoform
PDB entities 2
Chains and sequence ranges Author chain C; PDBConstruct 1–201; UniProt 31–231 Author chain D; PDBConstruct 1–201; UniProt 31–231

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 2qej

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id2qej
Deposition date deposition_date2007-06-26
Structure title titleCrystal structure of a Staphylococcus aureus protein (SSL7) in complex with Fc of human IgA1
Keywords keywordsIGA1, ANTIBODY, IMMUNOGLOBULIN, OB-FOLD, BETA-GRASP, SSL, IMMUNE SYSTEM; IMMUNE SYSTEM
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier34.94
Radius of gyration Rg (electron density) rg_electron34.34
Forward intensity I(0) i0129260000.00
Molecular weight molecular_weight90609.0 kDa
Excluded volume excluded_volume113440 ų
Envelope volume envelope_volume154310 ų
Hydration-shell volume shell_volume39397 ų
Envelope diameter envelope_diameter111.9
Shell Rg shell_rg39.36
Envelope Rg envelope_rg33.84
Shape Rg shape_rg34.31
Total Rg total_rg34.81
Total atoms total_atoms6374
Residues n_residues803
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 dmax110.0
Rg (real space) rg_real34.95
Rg uncertainty (real space) rg_real_error0.76
I(0) (real space) i0_real1.2930e+08
I(0) uncertainty (real space) i0_real_error2.1160e+06
Rg (reciprocal space) rg_reciprocal34.95
I(0) (reciprocal space) i0_reciprocal129300000.0000
Solution quality estimate total_estimate0.8358
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary41.6
Skewness Skewness skewness0.282
Kurtosis Kurtosis kurtosis-0.600
Angular range angular_range— – 0.2250 −1
Current regularization parameter α current_alpha0.0001
Highest regularization parameter α highest_alpha10890000.0000
Real-space data points n_real_points46
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.959; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 13 domains

SCOP 2.08 (5 domains)

Domain ID domain_idd2qeja1
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.2 — C1 set domains (antibody constant domain-like)
Domain ID domain_idd2qeja2
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.2 — C1 set domains (antibody constant domain-like)
Domain ID domain_idd2qeja3
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd2qejb1
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.2 — C1 set domains (antibody constant domain-like)
Domain ID domain_idd2qejb2
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.2 — C1 set domains (antibody constant domain-like)

CATH v4.4 (8 domains)

Domain ID domain_id2qejA01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id2qejA02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id2qejB01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id2qejB02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id2qejC01
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology20 — Ubiquitin-like (UB roll)
Homologous superfamily homologous superfamily120
Domain ID domain_id2qejC02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily110
Domain ID domain_id2qejD01
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology20 — Ubiquitin-like (UB roll)
Homologous superfamily homologous superfamily120
Domain ID domain_id2qejD02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily110

8. Citations (1)

9. Files and Curves (10)