PDBsum entry 4zjx

Hydrolase/hydrolase inhibitor

PDB id: 4zjx

Contents

Protein chain

417 a.a.

Ligands

CYS-DAB-ARG-TRP-THR-LYS-CYS-LEU-NH2

SO4 ×3

Metals

_ZN

Waters ×183

PDB id:

4zjx

Name:

Hydrolase/hydrolase inhibitor

Title:

Crystal structure of the catalytic domain of botulinum neurotoxin serotype a with a novel cyclic peptide inhibitor

Structure:

Botulinum neurotoxin type a. Chain: a. Synonym: bont/a,bontoxilysin-a,botox. Engineered: yes. Circular peptide inhibitor. Chain: b. Engineered: yes

Source:

Clostridium botulinum. Organism_taxid: 1491. Atcc: 3502. Gene: bota, atx, bna. Expressed in: escherichia coli. Expression_system_taxid: 469008. Synthetic: yes. Synthetic construct. Organism_taxid: 32630

Resolution:

1.94Å R-factor: 0.180 R-free: 0.229

Authors:

D.Kumaran,S.Swaminathan

Key ref:

D.Kumaran and s.swaminathan Crystal structure of the catalytic domain of botulinu neurotoxin serotype a with a novel cyclic peptide inh. To be published, .

Date:

29-Apr-15 Release date: 01-Jun-16

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: 417 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

Enzyme reactions

• Enzyme class: 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+)