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Calcium in PDB 3r3w: Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Chloroacetate

Enzymatic activity of Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Chloroacetate

All present enzymatic activity of Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Chloroacetate:
3.8.1.3;

Protein crystallography data

The structure of Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Chloroacetate, PDB code: 3r3w was solved by P.W.Y.Chan, A.F.Yakunin, E.A.Edwards, E.F.Pai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.69 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.030, 79.770, 85.180, 90.00, 103.22, 90.00
R / Rfree (%) 17.9 / 22.3

Other elements in 3r3w:

The structure of Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Chloroacetate also contains other interesting chemical elements:

Chlorine (Cl) 6 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Chloroacetate (pdb code 3r3w). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Chloroacetate, PDB code: 3r3w:

Calcium binding site 1 out of 1 in 3r3w

Go back to Calcium Binding Sites List in 3r3w
Calcium binding site 1 out of 1 in the Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Chloroacetate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Chloroacetate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca306

b:24.7
occ:1.00
O A:HOH326 2.3 19.1 1.0
OE1 A:GLN98 2.4 23.1 1.0
CD A:GLN98 3.3 20.5 1.0
NE2 A:GLN98 3.7 21.4 1.0
O A:HOH467 4.4 19.5 1.0
CG A:GLN98 4.7 16.0 1.0
CB A:GLN98 4.9 13.2 1.0
O A:GLN98 5.0 15.2 1.0

Reference:

P.W.Chan, A.F.Yakunin, E.A.Edwards, E.F.Pai. Mapping the Reaction Coordinates of Enzymatic Defluorination. J.Am.Chem.Soc. V. 133 7461 2011.
ISSN: ISSN 0002-7863
PubMed: 21510690
DOI: 10.1021/JA200277D
Page generated: Sat Jul 13 17:51:53 2024

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