1t6b

Crystal structure of B. anthracis Protective Antigen complexed with human Anthrax toxin receptor

Method: X-RAY DIFFRACTION Dmax: 132.8 Å Quality: GOOD

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

Protective Antigen

Bacillus anthracis

UniProt P13423

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 X; UniProt 30–764 Not recorded Anthrax toxin receptor 2 × 1 (P58335) CA CALCIUM ION × 2 NA SODIUM ION × 2 PG4 TETRAETHYLENE GLYCOL × 1 MN MANGANESE (II) ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 9;300 K;CHES buffer, PEG400, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 300K Resolution 2.50 Å R-free 0.266

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.

28 other PDB entries and 42 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name PAG_BACAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain X; PDBConstruct 1–735; UniProt 30–764

Anthrax toxin receptor 2

Homo sapiens

UniProt P58335

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 Y; UniProt 35–212 Fragment:A/I domain Protective Antigen × 1 (P13423) CA CALCIUM ION × 2 NA SODIUM ION × 2 PG4 TETRAETHYLENE GLYCOL × 1 MN MANGANESE (II) ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 9;300 K;CHES buffer, PEG400, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 300K Resolution 2.50 Å R-free 0.266

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.

13 other PDB entries and 24 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name ANTR2_HUMAN
Isoform
PDB entities 2
Chains and sequence ranges Author chain Y; PDBConstruct 6–183; UniProt 35–212

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 1t6b

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1t6b
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1t6b
Deposition date deposition_date2004-05-05
Structure title titleCrystal structure of B. anthracis Protective Antigen complexed with human Anthrax toxin receptor
Keywords keywordsBacillus Anthracis; Anthrax toxin; X-ray crystallography, MEMBRANE PROTEIN-TOXIN COMPLEX; MEMBRANE PROTEIN/TOXIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier38.04
Radius of gyration Rg (electron density) rg_electron38.63
Forward intensity I(0) i0137717000.00
Molecular weight molecular_weight95270.0 kDa
Excluded volume excluded_volume119530 ų
Envelope volume envelope_volume157730 ų
Hydration-shell volume shell_volume37492 ų
Envelope diameter envelope_diameter139.2
Shell Rg shell_rg39.82
Envelope Rg envelope_rg38.50
Shape Rg shape_rg38.64
Total Rg total_rg38.68
Total atoms total_atoms6713
Residues n_residues846
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 dmax132.8
Rg (real space) rg_real38.65
Rg uncertainty (real space) rg_real_error1.49
I(0) (real space) i0_real1.3770e+08
I(0) uncertainty (real space) i0_real_error2.6240e+06
Rg (reciprocal space) rg_reciprocal38.28
I(0) (reciprocal space) i0_reciprocal137700000.0000
Solution quality estimate total_estimate0.7815
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary31.6
Skewness Skewness skewness0.632
Kurtosis Kurtosis kurtosis-0.178
Angular range angular_range— – 0.2100 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha26110000.0000
Real-space data points n_real_points43
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.679; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.697; Smooth: 0.423

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (3 domains)

Domain ID domain_idd1t6bx1
Class classf — Membrane and cell surface proteins and peptides
Fold Fold foldf.60 — Anthrax protective antigen C-terminal-like
Superfamily Superfamily superfamilyf.60.1 — Anthrax protective antigen C-terminal-like
Family Family familyf.60.1.1 — Anthrax protective antigen C-terminal-like
Domain ID domain_idd1t6bx2
Class classb — All beta proteins
Fold Fold foldb.179 — Anthrax protective antigen N-terminal-like
Superfamily Superfamily superfamilyb.179.1 — PA14-like
Family Family familyb.179.1.1 — PA14
Domain ID domain_idd1t6by_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.62 — vWA-like
Superfamily Superfamily superfamilyc.62.1 — vWA-like
Family Family familyc.62.1.1 — Integrin A (or I) domain

CATH v4.4 (5 domains)

Domain ID domain_id1t6bX01
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology182 — Toxin - Anthrax Protective Antigen; domain 1
Homologous superfamily homologous superfamily10 — Toxin - Anthrax Protective Antigen;domain 1
Domain ID domain_id1t6bX02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily240 — Protective antigen, heptamerisation domain
Domain ID domain_id1t6bX03
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology20 — Ubiquitin-like (UB roll)
Homologous superfamily homologous superfamily110
Domain ID domain_id1t6bX04
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily810
Domain ID domain_id1t6bY00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily410 — von Willebrand factor, type A domain

8. Citations (1)

9. Files and Curves (10)