Het-PDB Navi2 (PDB: 3B12)

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Ligands
Code	Name		Style	Show	Link
FAH	Fluoroacetic acid				PoSSuM
MG	Magnesium ion				PoSSuM

Non-standard Residues
Code	Name	Show

Glycosylation
Code	Name	Emphasize

Modification
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Download interaction data: 3B12

Code :

3B12 PDBj RCSB PDB PDBe

Header :

HYDROLASE

Title :

Crystal Structure of the Fluoroacetate Dehalogenase D104 mutant from Burkholderia sp. FA1 in complex with fluoroacetate

Release Data :

2012-06-20

Compound :

mol_id	molecule	chains
1	Fluoroacetate dehalogenase	A,B
	ec: 3.8.1.3 mutation: D104A

Source :

mol_id	organism_scientific	expression_system
1	Burkholderia sp. (taxid:36773)	Escherichia coli (taxid:562)
	strain: FA1 gene: fac-dex expression_system_vector_type: plasmid expression_system_plasmid: pET21a

Authors :

Omi, R., Hirotsu, K.

Keywords :

dehalogease, Fluoroacetate, HYDROLASE

Exp. method :

X-RAY DIFFRACTION ( 1.20 Å )

Citation :

Substrate specificity of fluoroacetate dehalogenase: an insight from crystallographic analysis, fluorescence spectroscopy, and theoretical computations

Nakayama, T.,Kamachi, T.,Jitsumori, K. et al.
(2012) Chemistry 18 : 8392 - 8402

PubMed: 22674735
DOI: 10.1002/chem.201103369

Chain :

A, B

UniProt :

Q1JU72 (DEHA_BURSP)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
a haloacetate + H2O = a halide anion + glycolate + H(+)	3.8.1.3	PubMed:19218394, Ref.1
a haloacetate + H2O = a halide anion + glycolate + H(+)	left-to-right	Ref.1
fluoroacetate + H2O = fluoride + glycolate + H(+)	3.8.1.3	PubMed:19218394, Ref.1
fluoroacetate + H2O = fluoride + glycolate + H(+)	left-to-right	Ref.1

PDB ID: 3B12

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