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Magnesium in PDB 1k6e: Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A

Enzymatic activity of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A

All present enzymatic activity of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A:
3.8.1.5;

Protein crystallography data

The structure of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A, PDB code: 1k6e was solved by V.A.Streltsov, Z.Prokop, J.Damborsky, Y.Nagata, A.Oakley, M.C.J.Wilce, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.69 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.410, 68.330, 80.980, 90.00, 90.00, 90.00
R / Rfree (%) 14.2 / 20.1

Other elements in 1k6e:

The structure of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A also contains other interesting chemical elements:

Bromine (Br) 4 atoms
Chlorine (Cl) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A (pdb code 1k6e). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A, PDB code: 1k6e:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 1k6e

Go back to Magnesium Binding Sites List in 1k6e
Magnesium binding site 1 out of 3 in the Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1005

b:16.2
occ:1.00
 O A:HOH2293 1.9 17.0 1.0
O A:HOH2158 2.0 13.7 1.0
O A:HOH2294 2.0 14.9 1.0
O A:HOH2310 2.1 14.5 1.0
O A:HOH2208 2.1 17.9 1.0
O A:HOH2164 2.2 15.0 1.0
OE1 A:GLU145 4.0 31.2 1.0
O A:HOH2154 4.1 16.8 1.0
OG1 A:THR250 4.1 11.2 1.0
O A:HOH2261 4.1 32.1 1.0
OE2 A:GLU145 4.1 22.7 1.0
O A:ASP142 4.2 12.1 1.0
O A:ALA141 4.4 17.7 1.0
O A:HOH2046 4.4 15.9 1.0
CD A:GLU145 4.5 28.8 1.0
C A:ASP142 4.6 11.3 1.0
O A:PHE143 4.7 19.5 1.0
CA A:ASP142 4.8 10.1 1.0
CA A:GLY251 4.9 14.0 1.0
N A:GLY251 4.9 10.9 1.0
O A:HOH2328 4.9 34.1 1.0

Magnesium binding site 2 out of 3 in 1k6e

Go back to Magnesium Binding Sites List in 1k6e
Magnesium binding site 2 out of 3 in the Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1006

b:10.0
occ:1.00
 O A:HOH2235 2.0 12.2 1.0
O A:HOH2146 2.0 9.7 1.0
O A:HOH2236 2.1 10.7 1.0
O A:HOH2145 2.1 11.1 1.0
O A:HOH2162 2.1 13.1 1.0
O A:HOH2016 2.1 9.2 1.0
O A:HOH2072 4.2 19.7 1.0
OD1 A:ASP68 4.2 11.8 1.0
OE2 A:GLU192 4.2 12.1 1.0
O A:HOH2387 4.2 42.2 1.0
OE1 A:GLU192 4.2 16.3 1.0
O A:HOH2247 4.3 24.6 1.0
O A:HOH2006 4.3 9.3 1.0
O A:GLY67 4.3 7.3 1.0
O A:HOH2116 4.3 11.5 1.0
O A:HOH2224 4.6 54.5 1.0
CD A:GLU192 4.7 19.3 1.0
O A:HOH2087 4.8 17.8 1.0
CA A:ASP68 4.8 8.3 1.0

Magnesium binding site 3 out of 3 in 1k6e

Go back to Magnesium Binding Sites List in 1k6e
Magnesium binding site 3 out of 3 in the Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1007

b:21.1
occ:1.00
 O A:HOH2298 1.9 15.8 1.0
O A:HOH2078 2.1 14.8 1.0
O A:HOH2066 2.1 10.0 1.0
O A:HOH2238 2.1 19.0 1.0
O A:HOH2301 2.2 14.4 1.0
O A:HOH2060 2.2 17.7 1.0
O A:HOH2204 4.0 19.8 1.0
OD2 A:ASP70 4.0 12.2 1.0
O A:HOH2018 4.1 10.4 1.0
OE2 A:GLU15 4.2 17.1 1.0
OE1 A:GLU15 4.2 22.7 1.0
O A:GLY18 4.2 11.1 1.0
O A:HOH2086 4.3 11.2 1.0
O A:HOH2414 4.4 21.1 1.0
O A:HOH2367 4.5 42.2 1.0
CD A:GLU15 4.7 15.4 1.0
O A:HOH2461 4.7 56.9 1.0
N A:ARG20 4.8 11.4 1.0
CB A:ARG20 4.9 16.0 1.0

Reference:

V.A.Streltsov, Z.Prokop, J.Damborsky, Y.Nagata, A.Oakley, M.C.J.Wilce. Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26: X-Ray Crystallographic Studies of Dehalogenation of Brominated Substrates. Biochemistry V. 42 10104 2003.
ISSN: ISSN 0006-2960
PubMed: 12939138
DOI: 10.1021/BI027280A
Page generated: Tue Aug 13 07:08:39 2024

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