Magnesium in PDB 3fbw: Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Dhaa Mutant C176Y

All present enzymatic activity of Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Dhaa Mutant C176Y:
3.8.1.5;

The structure of Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Dhaa Mutant C176Y, PDB code: 3fbw was solved by J.Dohnalek, A.Stsiapanava, J.A.Gavira, I.Kuta Smatanova, M.Kuty, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.00 / 1.23
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.678, 76.294, 93.098, 90.00, 90.00, 90.00
R / Rfree (%)	13.7 / 16.7

The structure of Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Dhaa Mutant C176Y also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Magnesium atom in the Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Dhaa Mutant C176Y (pdb code 3fbw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Dhaa Mutant C176Y, PDB code: 3fbw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Dhaa Mutant C176Y


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Dhaa Mutant C176Y within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg527 b:11.7 occ:0.40 O A:HOH831 1.5 24.7 0.4 O A:HOH672 2.0 12.9 0.4 O A:HOH741 2.1 11.4 0.6 O A:GLY19 2.2 11.9 1.0 O A:HOH648 2.4 13.4 1.0 O A:HOH732 2.4 20.4 1.0 C A:GLY19 3.3 9.7 1.0 O A:HOH813 3.7 25.9 1.0 O A:HOH905 3.8 22.5 0.6 OE2 A:GLU20 3.8 14.0 1.0 CA A:GLY19 3.9 9.9 1.0 OE2 A:GLU16 4.3 15.9 0.3 CD A:GLU20 4.4 11.1 1.0 N A:GLU20 4.4 8.9 1.0 CA A:GLU20 4.8 9.1 1.0 OE1 A:GLU20 4.9 14.1 1.0

Magnesium binding site 2 out of 2 in the Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Dhaa Mutant C176Y


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Dhaa Mutant C176Y within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg528 b:27.8 occ:0.60 O A:HOH907 2.3 22.2 0.6 O A:ARG153 2.4 12.4 0.6 O A:HOH857 2.4 18.7 0.6 O A:HOH798 2.5 17.6 0.6 O A:ARG153 2.6 11.3 0.4 O A:HOH906 2.6 25.1 0.6 C A:ARG153 3.5 10.2 0.4 C A:ARG153 3.6 11.4 0.6 O A:HOH790 3.7 22.9 1.0 O A:HOH1014 4.2 25.3 0.4 OD1 A:ASN207 4.3 9.0 1.0 CB A:ARG153 4.3 9.2 1.0 O A:HOH819 4.3 23.3 1.0 CA A:ARG153 4.4 9.4 1.0 O A:HOH753 4.5 21.7 0.6 N A:THR154 4.5 10.3 0.4 O A:HOH649 4.5 13.4 1.0 N A:THR154 4.5 8.2 0.6 CA A:THR154 4.6 10.3 0.4 OE1 A:GLU214 4.6 32.7 0.3 CA A:THR154 4.7 9.0 0.6

A.Stsiapanava, J.Dohnalek, J.A.Gavira, M.Kuty, T.Koudelakova, J.Damborsky, I.Kuta Smatanova. Atomic Resolution Studies of Haloalkane Dehalogenases DHAA04, DHAA14 and DHAA15 with Engineered Access Tunnels. Acta Crystallogr.,Sect.D V. 66 962 2010.
ISSN: ISSN 0907-4449
PubMed: 20823547
DOI: 10.1107/S0907444910027101