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 / R_free (%)*	14.2 / 20.1

Other elements in 1k6e:

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

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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

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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

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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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