Manganese in PDB 1msd: Comparison of the Crystal Structures of Genetically Engineered Human Manganese Superoxide Dismutase and Manganese Superoxide Dismutase From Thermus Thermophilus. Differences in Dimer-Dimer Interactions.

Enzymatic activity of Comparison of the Crystal Structures of Genetically Engineered Human Manganese Superoxide Dismutase and Manganese Superoxide Dismutase From Thermus Thermophilus. Differences in Dimer-Dimer Interactions.

All present enzymatic activity of Comparison of the Crystal Structures of Genetically Engineered Human Manganese Superoxide Dismutase and Manganese Superoxide Dismutase From Thermus Thermophilus. Differences in Dimer-Dimer Interactions.:
1.15.1.1;

Protein crystallography data

The structure of Comparison of the Crystal Structures of Genetically Engineered Human Manganese Superoxide Dismutase and Manganese Superoxide Dismutase From Thermus Thermophilus. Differences in Dimer-Dimer Interactions., PDB code: 1msd was solved by J.Sussman, U.G.Wagner, K.A.Pattridge, M.L.Ludwig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	N/A / 3.20
*Space group*	P 2₁ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	77.800, 74.100, 68.420, 90.00, 90.00, 90.00
*R / R_free (%)*	n/a / n/a

Manganese Binding Sites:

The binding sites of Manganese atom in the Comparison of the Crystal Structures of Genetically Engineered Human Manganese Superoxide Dismutase and Manganese Superoxide Dismutase From Thermus Thermophilus. Differences in Dimer-Dimer Interactions. (pdb code 1msd). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Comparison of the Crystal Structures of Genetically Engineered Human Manganese Superoxide Dismutase and Manganese Superoxide Dismutase From Thermus Thermophilus. Differences in Dimer-Dimer Interactions., PDB code: 1msd:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 1msd

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Manganese Binding Sites List in 1msd

Manganese binding site 1 out of 2 in the Comparison of the Crystal Structures of Genetically Engineered Human Manganese Superoxide Dismutase and Manganese Superoxide Dismutase From Thermus Thermophilus. Differences in Dimer-Dimer Interactions.

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Comparison of the Crystal Structures of Genetically Engineered Human Manganese Superoxide Dismutase and Manganese Superoxide Dismutase From Thermus Thermophilus. Differences in Dimer-Dimer Interactions. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mn200 b:10.0 occ:1.00	NE2	A:HIS163	1.9	3.0	1.0
	NE2	A:HIS74	1.9	2.0	1.0
	OD2	A:ASP159	2.1	2.0	1.0
	NE2	A:HIS26	2.3	11.6	1.0
	CE1	A:HIS163	2.4	3.0	1.0
	CE1	A:HIS74	2.6	2.0	1.0
	CD2	A:HIS163	3.0	3.0	1.0
	CD2	A:HIS74	3.1	2.0	1.0
	CG	A:ASP159	3.1	2.0	1.0
	CD2	A:HIS26	3.2	11.6	1.0
	CE1	A:HIS26	3.3	11.6	1.0
	OD1	A:ASP159	3.4	2.0	1.0
	ND1	A:HIS163	3.5	3.0	1.0
	ND1	A:HIS74	3.7	2.0	1.0
	HE21	A:GLN143	3.8	10.0	1.0
	CG	A:HIS163	3.9	3.0	1.0
	CG	A:HIS74	4.0	2.0	1.0
	NE2	A:GLN143	4.1	2.7	1.0
	OE1	A:GLN143	4.3	2.7	1.0
	CZ2	A:TRP123	4.4	2.0	1.0
	CG	A:HIS26	4.4	11.6	1.0
	CB	A:ASP159	4.4	2.0	1.0
	ND1	A:HIS26	4.4	11.6	1.0
	HE22	A:GLN143	4.5	10.0	1.0
	CB	A:TRP161	4.6	20.9	1.0
	CG	A:TRP161	4.7	20.9	1.0
	CD	A:GLN143	4.8	2.7	1.0
	OH	A:TYR34	4.8	2.0	1.0
	CH2	A:TRP123	4.9	2.0	1.0

Manganese binding site 2 out of 2 in 1msd

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Manganese Binding Sites List in 1msd

Manganese binding site 2 out of 2 in the Comparison of the Crystal Structures of Genetically Engineered Human Manganese Superoxide Dismutase and Manganese Superoxide Dismutase From Thermus Thermophilus. Differences in Dimer-Dimer Interactions.

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Comparison of the Crystal Structures of Genetically Engineered Human Manganese Superoxide Dismutase and Manganese Superoxide Dismutase From Thermus Thermophilus. Differences in Dimer-Dimer Interactions. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Mn200 b:10.0 occ:1.00	NE2	B:HIS163	1.8	2.0	1.0
	OD2	B:ASP159	1.9	15.5	1.0
	NE2	B:HIS74	2.1	2.5	1.0
	NE2	B:HIS26	2.3	8.1	1.0
	CE1	B:HIS163	2.3	2.0	1.0
	CE1	B:HIS74	2.7	2.5	1.0
	CG	B:ASP159	2.9	15.5	1.0
	CD2	B:HIS163	3.0	2.0	1.0
	OD1	B:ASP159	3.2	15.5	1.0
	CD2	B:HIS74	3.2	2.5	1.0
	CE1	B:HIS26	3.2	8.1	1.0
	CD2	B:HIS26	3.3	8.1	1.0
	ND1	B:HIS163	3.5	2.0	1.0
	HE21	B:GLN143	3.8	10.0	1.0
	CG	B:HIS163	3.8	2.0	1.0
	ND1	B:HIS74	3.9	2.5	1.0
	NE2	B:GLN143	4.1	9.8	1.0
	CG	B:HIS74	4.1	2.5	1.0
	CB	B:ASP159	4.3	15.5	1.0
	OE1	B:GLN143	4.4	9.8	1.0
	ND1	B:HIS26	4.4	8.1	1.0
	CZ2	B:TRP123	4.4	3.8	1.0
	CB	B:TRP161	4.4	2.0	1.0
	CG	B:HIS26	4.4	8.1	1.0
	HE22	B:GLN143	4.5	10.0	1.0
	CG	B:TRP161	4.6	2.0	1.0
	CD	B:GLN143	4.8	9.8	1.0
	CH2	B:TRP123	4.9	3.8	1.0
	CD1	B:TRP161	4.9	2.0	1.0
	OH	B:TYR34	4.9	19.3	1.0

Reference:

U.G.Wagner, K.A.Pattridge, M.L.Ludwig, W.C.Stallings, M.M.Werber, C.Oefner, F.Frolow, J.L.Sussman. Comparison of the Crystal Structures of Genetically Engineered Human Manganese Superoxide Dismutase and Manganese Superoxide Dismutase From Thermus Thermophilus: Differences in Dimer-Dimer Interaction. Protein Sci. V. 2 814 1993.
ISSN: ISSN 0961-8368
PubMed: 8495200

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