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Magnesium in PDB 1k63: Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution

Enzymatic activity of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution

All present enzymatic activity of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution:
3.8.1.5;

Protein crystallography data

The structure of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution, PDB code: 1k63 was solved by V.A.Streltsov, J.Damborsky, M.C.J.Wilce, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.80 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.180, 68.951, 80.681, 90.00, 90.00, 90.00
R / Rfree (%) 14.1 / 20

Other elements in 1k63:

The structure of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution 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 with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution (pdb code 1k63). 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 with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution, PDB code: 1k63:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 1k63

Go back to Magnesium Binding Sites List in 1k63
Magnesium binding site 1 out of 3 in the Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution


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 with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1005

b:13.4
occ:1.00
O A:HOH2285 2.0 14.9 1.0
O A:HOH2156 2.0 17.6 1.0
O A:HOH2205 2.0 13.0 1.0
O A:HOH2286 2.1 14.2 1.0
O A:HOH2303 2.1 13.7 1.0
O A:HOH2162 2.2 11.5 1.0
OE1 A:GLU145 4.0 31.0 1.0
OG1 A:THR250 4.0 10.3 1.0
O A:ASP142 4.1 8.7 1.0
O A:HOH2152 4.1 11.7 1.0
OE2 A:GLU145 4.2 21.0 1.0
O A:HOH2257 4.2 31.0 1.0
O A:HOH2044 4.2 11.6 1.0
O A:ALA141 4.5 17.2 1.0
CD A:GLU145 4.5 29.4 1.0
C A:ASP142 4.6 11.7 1.0
O A:PHE143 4.7 13.3 1.0
CA A:GLY251 4.9 11.3 1.0
CA A:ASP142 4.9 11.4 1.0
N A:GLY251 4.9 13.2 1.0

Magnesium binding site 2 out of 3 in 1k63

Go back to Magnesium Binding Sites List in 1k63
Magnesium binding site 2 out of 3 in the Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution


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 with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1006

b:7.7
occ:1.00
O A:HOH2231 2.0 8.6 1.0
O A:HOH2143 2.1 8.1 1.0
O A:HOH2014 2.1 7.9 1.0
O A:HOH2144 2.1 8.4 1.0
O A:HOH2232 2.1 8.2 1.0
O A:HOH2160 2.1 8.7 1.0
OE1 A:GLU192 4.1 13.0 1.0
OE2 A:GLU192 4.1 6.7 1.0
O A:HOH2070 4.2 20.2 1.0
OD1 A:ASP68 4.2 8.6 1.0
O A:HOH2004 4.2 6.7 1.0
O A:HOH2243 4.3 28.6 1.0
O A:GLY67 4.3 3.6 1.0
O A:HOH2114 4.4 8.1 1.0
CD A:GLU192 4.6 12.1 1.0
CA A:ASP68 4.8 3.8 1.0
O A:HOH2085 4.9 20.1 1.0

Magnesium binding site 3 out of 3 in 1k63

Go back to Magnesium Binding Sites List in 1k63
Magnesium binding site 3 out of 3 in the Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution


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 with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1007

b:16.7
occ:1.00
O A:HOH2234 2.0 13.8 1.0
O A:HOH2292 2.1 12.6 1.0
O A:HOH2290 2.2 14.2 1.0
O A:HOH2064 2.2 10.0 1.0
O A:HOH2076 2.2 19.5 1.0
O A:HOH2058 2.2 28.1 1.0
O A:HOH2201 3.9 24.4 1.0
OD2 A:ASP70 4.1 7.1 1.0
O A:HOH2016 4.1 6.8 1.0
O A:HOH2084 4.2 9.5 1.0
O A:GLY18 4.3 5.9 1.0
OE1 A:GLU15 4.4 20.7 1.0
OE2 A:GLU15 4.4 20.4 1.0
O A:HOH2409 4.4 27.4 1.0
CD A:GLU15 4.8 18.3 1.0
CB A:ARG20 4.9 16.2 1.0
N A:ARG20 5.0 9.3 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: Mon Dec 14 06:12:51 2020

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