PDBsum entry 3v0a

Toxin

PDB id: 3v0a

Contents

Protein chains

1280 a.a.

1150 a.a.

119 a.a.

Ligands

SO4 ×20

MES ×4

Metals

_ZN

_CA

Waters ×294

PDB id:

3v0a

Name:

Toxin

Title:

2.7 angstrom crystal structure of bont/ai in complex with ntnha

Structure:

Bont/a. Chain: a. Synonym: bont/a1, botulinum neurotoxin type a, neurotoxin a, neurotoxin bont. Engineered: yes. Mutation: yes. Ntnh. Chain: b. Synonym: type a progenitor toxin nontoxic-nonha.

Source:

Clostridium botulinum. Organism_taxid: 1491. Gene: bont/a, bont/a, bonta. Expressed in: escherichia coli. Expression_system_taxid: 562. Gene: ant, ntnh. Lama glama. Organism_taxid: 9844. Expression_system_taxid: 562

Resolution:

2.70Å R-factor: 0.178 R-free: 0.224

Authors:

S.Gu,S.Rumpel,J.Zhou,J.Strotmeier,H.Bigalke,K.Perry,C.B.Shoemaker, A.Rummel,R.Jin

Key ref:

S.Gu et al. (2012). Botulinum neurotoxin is shielded by NTNHA in an interlocked complex. Science, 335, 977-981. PubMed id: 22363010

Date:

07-Dec-11 Release date: 14-Mar-12

Protein chain

P0DPI1  (BXA1_CLOBH) -  Botulinum neurotoxin type A from Clostridium botulinum (strain Hall / ATCC 3502 / NCTC 13319 / Type A)

Seq: 1296 a.a.

Struc: 1280 a.a.*

Protein chain

Q45914  (BXAN_CLOBO) -  Non-toxic nonhemagglutinin type A from Clostridium botulinum

Seq: 1193 a.a.

Struc: 1150 a.a.

Protein chain

No UniProt id for this chain

Struc: 119 a.a.

* PDB and UniProt seqs differ at 4 residue positions (black crosses)

Enzyme reactions

• Enzyme class: Chain A: E.C.3.4.24.69 - bontoxilysin.
• Reaction: Limited hydrolysis of proteins of the neuroexocytosis apparatus, synaptobrevins, SNAP25 or syntaxin. No detected action on small molecule substrates.
• Cofactor: Zn(2+)

Science 335:977-981 (2012)

PubMed id: 22363010

Botulinum neurotoxin is shielded by NTNHA in an interlocked complex.

S.Gu, S.Rumpel, J.Zhou, J.Strotmeier, H.Bigalke, K.Perry, C.B.Shoemaker, A.Rummel, R.Jin.

ABSTRACT

No abstract given.