4ae0

Crystal structure of diphtheria toxin mutant CRM197

Method: X-RAY DIFFRACTION
▼

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

DIPHTHERIA TOXIN

OrganismNot specified

UniProt P00588

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein homooligomer Homooligomer Protein 2 water × 2 Consistent with protein count

Other States of the Same Protein in the Database

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.

▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id4ae0
Deposition date deposition_date2012-01-04
Structure title titleCrystal structure of diphtheria toxin mutant CRM197
Keywords keywordsTOXIN; TOXIN
Experimental Method methodX-RAY DIFFRACTION
▼

3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

4ae0__assembly_1__model_1

Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

4ae0__assembly_1__model_1 | I(q)

10-2 10-1 106 107 108 q (1/Angstrom) I(q)
100 plotted points; both axes use logarithmic scales.

4ae0__assembly_1__model_1 | P(r) · Pending

The new assembly/model P(r) has not been calculated yet This placeholder does not display legacy data r (Angstrom) P(r)
P(r) will be calculated and displayed separately for the same assembly/model.
Rg(Guinier)33.31 Å
Rg (electron density)32.39 Å
Total Rg32.95 Å
Atom count7328
Residues998
Excluded volume129090 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 4ae0__assembly_1__model_1 dimeric (2) Success 4.1.3-1-20251215 (887e7ef) View Download
▶

4. Crystallography and Experiment 4. Crystallography & Experiment

▶

5. Entities and Polymers Entities & Polymers (2)

▼

6. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

Domain ID domain_idd4ae0a1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.166 — ADP-ribosylation
Superfamily Superfamily superfamilyd.166.1 — ADP-ribosylation
Family Family familyd.166.1.0 — automated matches
Domain ID domain_idd4ae0a2
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.1.2.0 — automated matches
Domain ID domain_idd4ae0a3
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.2.1.0 — automated matches

CATH v4.4 (3 domains)

Domain ID domain_id4ae0A01
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_id4ae0A02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology490 — Globin-like
Homologous superfamily homologous superfamily40 — Diphtheria toxin, translocation domain
Domain ID domain_id4ae0A03
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily700 — Diphtheria toxin, receptor-binding domain
▶

7. Citations (1)