Manganese in PDB 2mnr: Mechanism of the Reaction Catalyzed By Mandelate Racemase. 2. Crystal Structure of Mandelate Racemase at 2.5 Angstroms Resolution: Identification of the Active Site and Possible Catalytic Residues

Enzymatic activity of Mechanism of the Reaction Catalyzed By Mandelate Racemase. 2. Crystal Structure of Mandelate Racemase at 2.5 Angstroms Resolution: Identification of the Active Site and Possible Catalytic Residues

All present enzymatic activity of Mechanism of the Reaction Catalyzed By Mandelate Racemase. 2. Crystal Structure of Mandelate Racemase at 2.5 Angstroms Resolution: Identification of the Active Site and Possible Catalytic Residues:
5.1.2.2;

Protein crystallography data

The structure of Mechanism of the Reaction Catalyzed By Mandelate Racemase. 2. Crystal Structure of Mandelate Racemase at 2.5 Angstroms Resolution: Identification of the Active Site and Possible Catalytic Residues, PDB code: 2mnr was solved by D.J.Neidhart, G.A.Petsko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	6.00 / 1.90
*Space group*	I 4 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	125.000, 125.000, 106.200, 90.00, 90.00, 90.00
*R / R_free (%)*	n/a / n/a

Manganese Binding Sites:

The binding sites of Manganese atom in the Mechanism of the Reaction Catalyzed By Mandelate Racemase. 2. Crystal Structure of Mandelate Racemase at 2.5 Angstroms Resolution: Identification of the Active Site and Possible Catalytic Residues (pdb code 2mnr). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Mechanism of the Reaction Catalyzed By Mandelate Racemase. 2. Crystal Structure of Mandelate Racemase at 2.5 Angstroms Resolution: Identification of the Active Site and Possible Catalytic Residues, PDB code: 2mnr:

Manganese binding site 1 out of 1 in 2mnr

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Manganese Binding Sites List in 2mnr

Manganese binding site 1 out of 1 in the Mechanism of the Reaction Catalyzed By Mandelate Racemase. 2. Crystal Structure of Mandelate Racemase at 2.5 Angstroms Resolution: Identification of the Active Site and Possible Catalytic Residues

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Mechanism of the Reaction Catalyzed By Mandelate Racemase. 2. Crystal Structure of Mandelate Racemase at 2.5 Angstroms Resolution: Identification of the Active Site and Possible Catalytic Residues within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mn360 b:5.7 occ:1.00	OE1	A:GLU247	2.0	2.9	1.0
	OD2	A:ASP195	2.0	4.6	1.0
	O	A:HOH414	2.2	3.0	1.0
	OE2	A:GLU221	2.2	2.3	1.0
	O2	A:SO4361	2.2	15.3	1.0
	O	A:HOH459	2.2	5.5	1.0
	CD	A:GLU247	3.0	6.7	1.0
	CG	A:ASP195	3.0	6.5	1.0
	CD	A:GLU221	3.2	4.6	1.0
	OE2	A:GLU247	3.4	6.3	1.0
	OD1	A:ASP195	3.4	7.5	1.0
	S	A:SO4361	3.4	13.0	1.0
	O1	A:SO4361	3.5	13.5	1.0
	CG	A:GLU221	3.9	2.2	1.0
	NZ	A:LYS164	4.0	2.0	1.0
	NZ	A:LYS166	4.1	12.2	1.0
	OE1	A:GLU221	4.1	5.7	1.0
	O3	A:SO4361	4.1	10.0	1.0
	ND2	A:ASN197	4.2	13.8	1.0
	O	A:HOH415	4.2	3.5	1.0
	CG	A:GLU247	4.3	4.0	1.0
	OE1	A:GLU222	4.3	6.6	1.0
	CB	A:ASP195	4.4	3.1	1.0
	O4	A:SO4361	4.4	12.1	1.0
	CE	A:MET268	4.6	4.9	1.0
	CE	A:LYS164	4.6	3.7	1.0
	NE2	A:HIS297	4.6	4.0	1.0
	CD2	A:HIS297	4.8	2.6	1.0
	CG	A:ASN197	4.8	14.3	1.0
	OD1	A:ASN197	4.9	16.8	1.0
	O	A:HOH433	5.0	5.3	1.0
	O	A:HOH617	5.0	37.8	1.0

Reference:

D.J.Neidhart, P.L.Howell, G.A.Petsko, V.M.Powers, R.S.Li, G.L.Kenyon, J.A.Gerlt. Mechanism of the Reaction Catalyzed By Mandelate Racemase. 2. Crystal Structure of Mandelate Racemase at 2.5-A Resolution: Identification of the Active Site and Possible Catalytic Residues. Biochemistry V. 30 9264 1991.
ISSN: ISSN 0006-2960
PubMed: 1892834
DOI: 10.1021/BI00102A019

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