3v0b

3.9 angstrom crystal structure of BoNT/Ai in complex with NTNHA

Method: X-RAY DIFFRACTION
▼

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

BoNT/A

Clostridium botulinum

UniProt Q7B8V4

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 2 NTNH × 1 (Q45914) ZINC ION × 1 CALCIUM ION × 1 Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence
UniProt name Q7B8V4_CLOBO
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–1296; UniProt 1–1296

NTNH

Clostridium botulinum

UniProt Q45914

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 2 BoNT/A × 1 (Q7B8V4) ZINC ION × 1 CALCIUM ION × 1 Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence
UniProt name Q45914_CLOBO
Isoform —
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 3–1195; UniProt 1–1193

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_id3v0b
Deposition date deposition_date2011-12-07
Structure title title3.9 angstrom crystal structure of BoNT/Ai in complex with NTNHA
Keywords keywordsVHH free inlocked complex, Botulinum neurotoxin, TOXIN; 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.

3v0b__assembly_1__model_1

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

Download this curve (.dat)

3v0b__assembly_1__model_1 | I(q)

10-2 10-1 106 107 108 109 q (1/Angstrom) I(q)
100 plotted points; both axes use logarithmic scales.

3v0b__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)43.77 Å
Rg (electron density)43.19 Å
Total Rg43.54 Å
Atom count19830
Residues2430
Excluded volume353930 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 3v0b__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 (4)

▼

6. Fold Classification (SCOP + CATH) 8 domains

CATH v4.4 (8 domains)

Domain ID domain_id3v0bA01
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology1240 — Zincin-like
Homologous superfamily homologous superfamily10 — Metalloproteases ("zincins"), catalytic domain like
Domain ID domain_id3v0bA02
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1120 — Clostridium botulinum neurotoxin B, "coiled-coil" domain
Homologous superfamily homologous superfamily10 — Clostridium botulinum neurotoxin b, "coiled-coil" domain
Domain ID domain_id3v0bA03
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily200 —
Domain ID domain_id3v0bA04
Class class2 — Mainly Beta
Architecture architecture80 — Trefoil
Topology topology10 — Trefoil (Acidic Fibroblast Growth Factor, subunit A)
Homologous superfamily homologous superfamily50 —
Domain ID domain_id3v0bB01
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology1240 — Zincin-like
Homologous superfamily homologous superfamily10 — Metalloproteases ("zincins"), catalytic domain like
Domain ID domain_id3v0bB02
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1120 — Clostridium botulinum neurotoxin B, "coiled-coil" domain
Homologous superfamily homologous superfamily10 — Clostridium botulinum neurotoxin b, "coiled-coil" domain
Domain ID domain_id3v0bB03
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily200 —
Domain ID domain_id3v0bB04
Class class2 — Mainly Beta
Architecture architecture80 — Trefoil
Topology topology10 — Trefoil (Acidic Fibroblast Growth Factor, subunit A)
Homologous superfamily homologous superfamily50 —
▶

7. Citations (1)