Manganese in PDB 3zi0: Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue

Enzymatic activity of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue

All present enzymatic activity of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue:
1.1.1.267;

Protein crystallography data

The structure of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue, PDB code: 3zi0 was solved by C.Bjorkelid, A.M.Jansson, T.Bergfors, T.Unge, S.L.Mowbray, T.A.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	81.80 / 1.90
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	67.447, 68.707, 85.700, 90.00, 107.34, 90.00
*R / R_free (%)*	20.488 / 23.132

Other elements in 3zi0:

The structure of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue (pdb code 3zi0). 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 Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue, PDB code: 3zi0:

Manganese binding site 1 out of 1 in 3zi0

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Manganese Binding Sites List in 3zi0

Manganese binding site 1 out of 1 in the Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Mn401 b:51.2 occ:1.00	OE1	B:GLU153	2.2	26.9	1.0
	OE2	B:GLU222	2.2	26.4	1.0
	OD1	B:ASP151	2.3	41.9	1.0
	CD	B:GLU153	2.8	26.6	1.0
	OE2	B:GLU153	2.8	29.4	1.0
	CD	B:GLU222	3.2	22.5	1.0
	CG	B:ASP151	3.4	36.9	1.0
	OE1	B:GLU222	3.7	22.7	1.0
	OD2	B:ASP151	3.9	41.7	1.0
	NZ	B:LYS128	4.0	41.4	1.0
	ND2	B:ASN218	4.2	25.6	0.5
	CG	B:GLU153	4.3	23.9	1.0
	CG	B:GLU222	4.4	20.6	1.0
	CB	B:ASP151	4.6	28.8	1.0
	N	B:SER152	4.6	21.0	1.0
	NZ	B:LYS219	4.7	18.4	1.0
	N	B:GLU153	4.7	18.6	1.0
	CB	B:GLU153	4.8	20.5	1.0

Reference:

A.M.Jansson, A.Wieckowska, C.Bjorkelid, S.Yahiaoui, S.Sooriyaarachchi, M.Lindh, T.Bergfors, S.Dharavath, M.Desroses, S.Suresh, M.Andaloussi, R.Nikhil, S.Sreevalli, B.R.Srinivasa, M.Larhed, T.A.Jones, A.Karlen, S.L.Mowbray. Dxr Inhibition By Potent Mono- and Disubstituted Fosmidomycin Analogues. J.Med.Chem. V. 56 6190 2013.
ISSN: ISSN 0022-2623
PubMed: 23819803
DOI: 10.1021/JM4006498

Page generated: Sat Oct 5 18:39:03 2024

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