Manganese in PDB 6oe2: X-Ray Structure of the C-Terminal Domain (277-440) of Putative Chitobiase From Bacteroides Thetaiotaomicron. Northeast Structural Genomics Consortium Target BTR324A. Re-Refinement of 3GGL with Correct Metal Mn Replacing Zn. New Metal Confirmed with Pixe Analysis of Original Sample.

Enzymatic activity of X-Ray Structure of the C-Terminal Domain (277-440) of Putative Chitobiase From Bacteroides Thetaiotaomicron. Northeast Structural Genomics Consortium Target BTR324A. Re-Refinement of 3GGL with Correct Metal Mn Replacing Zn. New Metal Confirmed with Pixe Analysis of Original Sample.

All present enzymatic activity of X-Ray Structure of the C-Terminal Domain (277-440) of Putative Chitobiase From Bacteroides Thetaiotaomicron. Northeast Structural Genomics Consortium Target BTR324A. Re-Refinement of 3GGL with Correct Metal Mn Replacing Zn. New Metal Confirmed with Pixe Analysis of Original Sample.:
3.2.1.169;

Protein crystallography data

The structure of X-Ray Structure of the C-Terminal Domain (277-440) of Putative Chitobiase From Bacteroides Thetaiotaomicron. Northeast Structural Genomics Consortium Target BTR324A. Re-Refinement of 3GGL with Correct Metal Mn Replacing Zn. New Metal Confirmed with Pixe Analysis of Original Sample., PDB code: 6oe2 was solved by E.H.Snell, E.F.Garman, E.D.Lowe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	19.99 / 3.00
*Space group*	P 3₂ 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	86.860, 86.860, 50.992, 90.00, 90.00, 120.00
*R / R_free (%)*	17.4 / 23.7

Manganese Binding Sites:

The binding sites of Manganese atom in the X-Ray Structure of the C-Terminal Domain (277-440) of Putative Chitobiase From Bacteroides Thetaiotaomicron. Northeast Structural Genomics Consortium Target BTR324A. Re-Refinement of 3GGL with Correct Metal Mn Replacing Zn. New Metal Confirmed with Pixe Analysis of Original Sample. (pdb code 6oe2). 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 X-Ray Structure of the C-Terminal Domain (277-440) of Putative Chitobiase From Bacteroides Thetaiotaomicron. Northeast Structural Genomics Consortium Target BTR324A. Re-Refinement of 3GGL with Correct Metal Mn Replacing Zn. New Metal Confirmed with Pixe Analysis of Original Sample., PDB code: 6oe2:

Manganese binding site 1 out of 1 in 6oe2

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Manganese Binding Sites List in 6oe2

Manganese binding site 1 out of 1 in the X-Ray Structure of the C-Terminal Domain (277-440) of Putative Chitobiase From Bacteroides Thetaiotaomicron. Northeast Structural Genomics Consortium Target BTR324A. Re-Refinement of 3GGL with Correct Metal Mn Replacing Zn. New Metal Confirmed with Pixe Analysis of Original Sample.

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of X-Ray Structure of the C-Terminal Domain (277-440) of Putative Chitobiase From Bacteroides Thetaiotaomicron. Northeast Structural Genomics Consortium Target BTR324A. Re-Refinement of 3GGL with Correct Metal Mn Replacing Zn. New Metal Confirmed with Pixe Analysis of Original Sample. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mn502 b:89.1 occ:1.00	O	A:ASP326	1.8	0.9	1.0
	O	A:THR329	1.9	88.0	1.0
	O	A:CYS321	2.4	95.8	1.0
	OE2	A:GLU431	2.4	0.1	1.0
	O	A:ARG430	2.4	87.0	1.0
	OD1	A:ASP324	2.6	83.6	1.0
	CG2	A:THR329	2.9	0.8	1.0
	C	A:ASP326	3.1	0.7	1.0
	C	A:THR329	3.1	92.7	1.0
	CD	A:GLU431	3.3	0.6	1.0
	CG	A:GLU431	3.6	0.3	1.0
	C	A:CYS321	3.6	92.2	1.0
	CG	A:ASP324	3.6	90.2	1.0
	C	A:ARG430	3.6	82.2	1.0
	O	A:THR327	3.7	0.2	1.0
	OD2	A:ASP324	3.8	88.3	1.0
	CA	A:THR329	3.9	0.5	1.0
	CB	A:THR329	3.9	0.8	1.0
	CA	A:ASP326	4.0	0.3	1.0
	N	A:THR327	4.0	0.6	1.0
	N	A:ASP326	4.1	0.8	1.0
	N	A:THR329	4.2	0.6	1.0
	N	A:PHE330	4.2	91.2	1.0
	C	A:THR327	4.2	0.7	1.0
	CA	A:THR327	4.3	0.1	1.0
	CA	A:ARG430	4.4	79.7	1.0
	CA	A:CYS321	4.4	98.6	1.0
	CB	A:ASP326	4.4	0.7	1.0
	OG1	A:THR329	4.4	1.0	1.0
	OE1	A:GLU431	4.5	0.2	1.0
	CB	A:CYS321	4.5	99.4	1.0
	N	A:GLU431	4.5	84.0	1.0
	CA	A:PHE330	4.6	85.2	1.0
	N	A:LEU322	4.6	85.5	1.0
	CA	A:GLU431	4.7	87.7	1.0
	CB	A:GLU431	4.7	94.2	1.0
	CA	A:LEU322	4.8	85.1	1.0
	CB	A:ARG430	4.9	80.9	1.0
	CB	A:ASP324	4.9	95.8	1.0
	N	A:ASP324	5.0	89.2	1.0
	C	A:LEU322	5.0	85.7	1.0

Reference:

G.W.Grime, O.Zeldin, M.E.Snell, E.D.Lowe, J.F.Hunt, G.T.Montelione, L.Tong, E.H.Snell, E.F.Garman. High-Throughput Pixe As An Essential Quantitative Assay For Accurate Metalloprotein Structural Analysis; Development and Application. J.Am.Chem.Soc. 2019.
ISSN: ESSN 1520-5126
PubMed: 31794207
DOI: 10.1021/JACS.9B09186

Page generated: Sun Oct 6 05:43:04 2024

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