Manganese in PDB 1ix9: Crystal Structure of the E. Coli Manganase(III) Superoxide Dismutase Mutant Y174F at 0.90 Angstroms Resolution.

Enzymatic activity of Crystal Structure of the E. Coli Manganase(III) Superoxide Dismutase Mutant Y174F at 0.90 Angstroms Resolution.

All present enzymatic activity of Crystal Structure of the E. Coli Manganase(III) Superoxide Dismutase Mutant Y174F at 0.90 Angstroms Resolution.:
1.15.1.1;

Protein crystallography data

The structure of Crystal Structure of the E. Coli Manganase(III) Superoxide Dismutase Mutant Y174F at 0.90 Angstroms Resolution., PDB code: 1ix9 was solved by B.F.Anderson, R.A.Edwards, M.M.Whittaker, J.W.Whittaker, E.N.Baker, G.B.Jameson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	30.00 / 0.90
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	46.893, 46.017, 95.993, 90.00, 98.40, 90.00
*R / R_free (%)*	10.7 / 12.7

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of the E. Coli Manganase(III) Superoxide Dismutase Mutant Y174F at 0.90 Angstroms Resolution. (pdb code 1ix9). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of the E. Coli Manganase(III) Superoxide Dismutase Mutant Y174F at 0.90 Angstroms Resolution., PDB code: 1ix9:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 1ix9

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Manganese Binding Sites List in 1ix9

Manganese binding site 1 out of 4 in the Crystal Structure of the E. Coli Manganase(III) Superoxide Dismutase Mutant Y174F at 0.90 Angstroms Resolution.

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the E. Coli Manganase(III) Superoxide Dismutase Mutant Y174F at 0.90 Angstroms Resolution. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mn206 b:5.0 occ:0.51	MN	A:MN206	0.0	5.0	0.5
	MN	A:MN206	0.0	5.0	0.5
	OD2	A:ASP167	2.0	5.8	1.0
	O	A:HOH676	2.1	7.0	1.0
	NE2	A:HIS171	2.1	5.8	1.0
	NE2	A:HIS81	2.1	5.4	1.0
	NE2	A:HIS26	2.1	5.5	1.0
	CG	A:ASP167	3.1	5.3	1.0
	CE1	A:HIS81	3.1	5.8	1.0
	CE1	A:HIS26	3.1	6.0	1.0
	CD2	A:HIS171	3.1	5.9	1.0
	CE1	A:HIS171	3.1	6.0	1.0
	CD2	A:HIS81	3.2	5.3	1.0
	CD2	A:HIS26	3.2	5.7	1.0
	OD1	A:ASP167	3.5	6.0	1.0
	ND1	A:HIS81	4.2	5.5	1.0
	ND1	A:HIS26	4.3	5.8	1.0
	ND1	A:HIS171	4.3	6.0	1.0
	CG	A:HIS81	4.3	5.2	1.0
	CG	A:HIS171	4.3	5.8	1.0
	CG	A:HIS26	4.3	5.5	1.0
	CB	A:ASP167	4.3	5.2	1.0
	CZ2	A:TRP128	4.4	6.3	1.0
	CB	A:TRP169	4.5	5.2	1.0
	NE2	A:GLN146	4.6	6.0	1.0
	CG	A:TRP169	4.8	5.2	1.0
	CH2	A:TRP128	4.9	6.2	1.0
	CB	A:ALA172	4.9	6.2	1.0

Manganese binding site 2 out of 4 in 1ix9

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Manganese Binding Sites List in 1ix9

Manganese binding site 2 out of 4 in the Crystal Structure of the E. Coli Manganase(III) Superoxide Dismutase Mutant Y174F at 0.90 Angstroms Resolution.

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of the E. Coli Manganase(III) Superoxide Dismutase Mutant Y174F at 0.90 Angstroms Resolution. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mn206 b:5.0 occ:0.49	MN	A:MN206	0.0	5.0	0.5
	MN	A:MN206	0.0	5.0	0.5
	OD2	A:ASP167	2.0	5.8	1.0
	O	A:HOH676	2.1	7.0	1.0
	NE2	A:HIS171	2.1	5.8	1.0
	NE2	A:HIS81	2.1	5.4	1.0
	NE2	A:HIS26	2.1	5.5	1.0
	CG	A:ASP167	3.1	5.3	1.0
	CE1	A:HIS81	3.1	5.8	1.0
	CE1	A:HIS26	3.1	6.0	1.0
	CD2	A:HIS171	3.1	5.9	1.0
	CE1	A:HIS171	3.1	6.0	1.0
	CD2	A:HIS81	3.2	5.3	1.0
	CD2	A:HIS26	3.2	5.7	1.0
	OD1	A:ASP167	3.5	6.0	1.0
	ND1	A:HIS81	4.2	5.5	1.0
	ND1	A:HIS26	4.3	5.8	1.0
	ND1	A:HIS171	4.3	6.0	1.0
	CG	A:HIS81	4.3	5.2	1.0
	CG	A:HIS171	4.3	5.8	1.0
	CG	A:HIS26	4.3	5.5	1.0
	CB	A:ASP167	4.3	5.2	1.0
	CZ2	A:TRP128	4.4	6.3	1.0
	CB	A:TRP169	4.5	5.2	1.0
	NE2	A:GLN146	4.6	6.0	1.0
	CG	A:TRP169	4.8	5.2	1.0
	CH2	A:TRP128	4.9	6.2	1.0
	CB	A:ALA172	4.9	6.2	1.0

Manganese binding site 3 out of 4 in 1ix9

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Manganese Binding Sites List in 1ix9

Manganese binding site 3 out of 4 in the Crystal Structure of the E. Coli Manganase(III) Superoxide Dismutase Mutant Y174F at 0.90 Angstroms Resolution.

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of the E. Coli Manganase(III) Superoxide Dismutase Mutant Y174F at 0.90 Angstroms Resolution. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Mn206 b:6.5 occ:0.75	MN	B:MN206	0.0	6.5	0.2
	MN	B:MN206	0.0	6.5	0.8
	OD2	B:ASP167	2.0	7.6	1.0
	NE2	B:HIS171	2.1	6.9	1.0
	NE2	B:HIS81	2.1	7.3	1.0
	NE2	B:HIS26	2.1	7.2	1.0
	O	B:HOH634	2.2	8.6	1.0
	CG	B:ASP167	3.0	7.0	1.0
	CE1	B:HIS26	3.1	7.4	1.0
	CE1	B:HIS81	3.1	7.9	1.0
	CE1	B:HIS171	3.1	7.2	1.0
	CD2	B:HIS171	3.1	7.0	1.0
	CD2	B:HIS81	3.1	7.6	1.0
	CD2	B:HIS26	3.2	7.5	1.0
	OD1	B:ASP167	3.5	8.0	1.0
	ND1	B:HIS26	4.2	7.9	1.0
	ND1	B:HIS81	4.2	7.8	1.0
	ND1	B:HIS171	4.3	6.9	1.0
	CG	B:HIS26	4.3	7.5	1.0
	CG	B:HIS81	4.3	7.5	1.0
	CG	B:HIS171	4.3	6.7	1.0
	CB	B:ASP167	4.3	7.0	1.0
	CZ2	B:TRP128	4.4	8.8	1.0
	CB	B:TRP169	4.6	6.4	1.0
	NE2	B:GLN146	4.6	7.8	1.0
	CG	B:TRP169	4.8	6.3	1.0
	CH2	B:TRP128	4.9	9.0	1.0
	CB	B:ALA172	5.0	7.4	1.0

Manganese binding site 4 out of 4 in 1ix9

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Manganese Binding Sites List in 1ix9

Manganese binding site 4 out of 4 in the Crystal Structure of the E. Coli Manganase(III) Superoxide Dismutase Mutant Y174F at 0.90 Angstroms Resolution.

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of the E. Coli Manganase(III) Superoxide Dismutase Mutant Y174F at 0.90 Angstroms Resolution. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Mn206 b:6.5 occ:0.25	MN	B:MN206	0.0	6.5	0.2
	MN	B:MN206	0.0	6.5	0.8
	OD2	B:ASP167	2.0	7.6	1.0
	NE2	B:HIS171	2.1	6.9	1.0
	NE2	B:HIS81	2.1	7.3	1.0
	NE2	B:HIS26	2.1	7.2	1.0
	O	B:HOH634	2.2	8.6	1.0
	CG	B:ASP167	3.0	7.0	1.0
	CE1	B:HIS26	3.1	7.4	1.0
	CE1	B:HIS81	3.1	7.9	1.0
	CE1	B:HIS171	3.1	7.2	1.0
	CD2	B:HIS171	3.1	7.0	1.0
	CD2	B:HIS81	3.1	7.6	1.0
	CD2	B:HIS26	3.2	7.5	1.0
	OD1	B:ASP167	3.5	8.0	1.0
	ND1	B:HIS26	4.2	7.9	1.0
	ND1	B:HIS81	4.2	7.8	1.0
	ND1	B:HIS171	4.3	6.9	1.0
	CG	B:HIS26	4.3	7.5	1.0
	CG	B:HIS81	4.3	7.5	1.0
	CG	B:HIS171	4.3	6.7	1.0
	CB	B:ASP167	4.3	7.0	1.0
	CZ2	B:TRP128	4.4	8.8	1.0
	CB	B:TRP169	4.6	6.4	1.0
	NE2	B:GLN146	4.6	7.8	1.0
	CG	B:TRP169	4.8	6.3	1.0
	CH2	B:TRP128	4.9	9.0	1.0
	CB	B:ALA172	5.0	7.4	1.0

Reference:

B.F.Anderson, R.A.Edwards, M.M.Whittaker, J.W.Whittaker, E.N.Baker, G.B.Jameson. Structures at 0.90 A Resolution of the Oxidised and Reduced Forms of the Y174F Mutant of the Manganese Superoxide Dismutase From Escherichia Coli To Be Published.

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