Het-PDB Navi2 (PDB: 3R3V)

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Ligands
Code	Name	Link
CA	Calcium ion	PoSSuM
CL	Chloride ion	PoSSuM
FAH	Fluoroacetic acid	PoSSuM

Non-standard Residues
Code	Name	Show

Glycosylation
Code	Name	Emphasize

Modification
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Download interaction data: 3R3V

Code :

3R3V PDBj RCSB PDB PDBe

Header :

HYDROLASE

Title :

Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Fluoroacetate

Release Data :

2011-05-04

Compound :

mol_id	molecule	chains
1	Fluoroacetate dehalogenase	A,B
	ec: 3.8.1.3 mutation: D110N

Source :

mol_id	organism_scientific	expression_system
1	Rhodopseudomonas palustris (taxid:1076)	Escherichia coli (taxid:469008)
	strain: CGA009 gene: RPA1163 expression_system_strain: BL21(DE3) expression_system_vector_type: plasmid expression_system_plasmid: p15TV-L

Authors :

Chan, P.W.Y., Yakunin, A.F., Edwards, E.A., Pai, E.F.

Keywords :

FAcD, Defluorinase, Alpha/Beta Hydrolase, Hydrolase

Exp. method :

X-RAY DIFFRACTION ( 1.5000 Å )

Citation :

Mapping the reaction coordinates of enzymatic defluorination.

Chan, P.W.,Yakunin, A.F.,Edwards, E.A. et al.
(2011) J.Am.Chem.Soc. 133 : 7461 - 7468

Chain :

A, B

UniProt :

Q6NAM1 (DEHA_RHOPA)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
a haloacetate + H2O = a halide anion + glycolate + H(+)	3.8.1.3	PubMed:21510690, Ref.2
a haloacetate + H2O = a halide anion + glycolate + H(+)	-	PubMed:21510690, Ref.2
fluoroacetate + H2O = fluoride + glycolate + H(+)	3.8.1.3	PubMed:21510690, Ref.2
fluoroacetate + H2O = fluoride + glycolate + H(+)	-	PubMed:21510690, Ref.2
chloroacetate + H2O = chloride + glycolate + H(+)	3.8.1.3	PubMed:21510690, Ref.2
chloroacetate + H2O = chloride + glycolate + H(+)	-	PubMed:21510690, Ref.2

PDB ID: 3R3V