1ddt

THE REFINED STRUCTURE OF DIMERIC DIPHTHERIA TOXIN AT 2.0 ANGSTROMS RESOLUTION

Method: X-RAY DIFFRACTION Dmax: 88.3 Å Quality: EXCELLENT

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

DIPHTHERIA TOXIN

Corynephage beta

UniProt P00588

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 homooligomer Homooligomer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 33–567 Not recorded APU ADENYLYL-3'-5'-PHOSPHO-URIDINE-3'-MONOPHOSPHATE × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed experimental conditions Resolution 2.00 Å

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.

8 other PDB entries and 11 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name DTX_CORBE
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–535; UniProt 33–567

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 1ddt

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id1ddt
Deposition date deposition_date1994-03-01
Structure title titleTHE REFINED STRUCTURE OF DIMERIC DIPHTHERIA TOXIN AT 2.0 ANGSTROMS RESOLUTION
Keywords keywordsTOXIN; TOXIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier29.74
Radius of gyration Rg (electron density) rg_electron28.85
Forward intensity I(0) i056133600.00
Molecular weight molecular_weight57712.0 kDa
Excluded volume excluded_volume71840 ų
Envelope volume envelope_volume93501 ų
Hydration-shell volume shell_volume27376 ų
Envelope diameter envelope_diameter89.3
Shell Rg shell_rg35.87
Envelope Rg envelope_rg28.11
Shape Rg shape_rg28.83
Total Rg total_rg29.65
Total atoms total_atoms4064
Residues n_residues523
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 dmax88.3
Rg (real space) rg_real29.62
Rg uncertainty (real space) rg_real_error0.56
I(0) (real space) i0_real5.6130e+07
I(0) uncertainty (real space) i0_real_error8.0540e+05
Rg (reciprocal space) rg_reciprocal29.67
I(0) (reciprocal space) i0_reciprocal56140000.0000
Solution quality estimate total_estimate0.9023
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary46.7
Skewness Skewness skewness0.010
Kurtosis Kurtosis kurtosis-0.858
Angular range angular_range— – 0.2650 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha11170000.0000
Real-space data points n_real_points54
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.943; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.907

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

Domain ID domain_idd1ddta1
Class classb — All beta proteins
Fold Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
Superfamily Superfamily superfamilyb.2.1 — Diphtheria toxin, C-terminal domain
Family Family familyb.2.1.1 — Diphtheria toxin, C-terminal domain
Domain ID domain_idd1ddta2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.166 — ADP-ribosylation
Superfamily Superfamily superfamilyd.166.1 — ADP-ribosylation
Family Family familyd.166.1.1 — ADP-ribosylating toxins
Domain ID domain_idd1ddta3
Class classf — Membrane and cell surface proteins and peptides
Fold Fold foldf.1 — Toxins' membrane translocation domains
Superfamily Superfamily superfamilyf.1.2 — Diphtheria toxin, middle domain
Family Family familyf.1.2.1 — Diphtheria toxin, middle domain

CATH v4.4 (3 domains)

Domain ID domain_id1ddtA01
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology175 — Diphtheria Toxin; domain 1
Homologous superfamily homologous superfamily10 — Diphtheria Toxin, domain 1
Domain ID domain_id1ddtA02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology490 — Globin-like
Homologous superfamily homologous superfamily40 — Diphtheria toxin, translocation domain
Domain ID domain_id1ddtA03
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily700 — Diphtheria toxin, receptor-binding domain

8. Citations (3)

9. Files and Curves (10)