Magnesium in PDB 2i8c: Allosteric Inhibition of Staphylococcus Aureus D-Alanine:D-Alanine Ligase Revealed By Crystallographic Studies

Enzymatic activity of Allosteric Inhibition of Staphylococcus Aureus D-Alanine:D-Alanine Ligase Revealed By Crystallographic Studies

All present enzymatic activity of Allosteric Inhibition of Staphylococcus Aureus D-Alanine:D-Alanine Ligase Revealed By Crystallographic Studies:
6.3.2.4;

Protein crystallography data

The structure of Allosteric Inhibition of Staphylococcus Aureus D-Alanine:D-Alanine Ligase Revealed By Crystallographic Studies, PDB code: 2i8c was solved by S.Liu, J.S.Chang, J.T.Herberg, M.Horng, P.K.Tomich, A.H.Lin, K.R.Marotti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	47.51 / 2.46
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	67.802, 66.972, 78.992, 90.00, 96.05, 90.00
*R / R_free (%)*	21 / 26.9

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Allosteric Inhibition of Staphylococcus Aureus D-Alanine:D-Alanine Ligase Revealed By Crystallographic Studies (pdb code 2i8c). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Allosteric Inhibition of Staphylococcus Aureus D-Alanine:D-Alanine Ligase Revealed By Crystallographic Studies, PDB code: 2i8c:

Magnesium binding site 1 out of 1 in 2i8c

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Magnesium Binding Sites List in 2i8c

Magnesium binding site 1 out of 1 in the Allosteric Inhibition of Staphylococcus Aureus D-Alanine:D-Alanine Ligase Revealed By Crystallographic Studies

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Allosteric Inhibition of Staphylococcus Aureus D-Alanine:D-Alanine Ligase Revealed By Crystallographic Studies within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Mg402 b:80.1 occ:1.00	O2B	B:ADP400	2.1	73.4	1.0
	OE2	B:GLU306	2.2	57.2	1.0
	O2A	B:ADP400	2.2	64.4	1.0
	PB	B:ADP400	3.2	74.6	1.0
	PA	B:ADP400	3.3	65.5	1.0
	O3A	B:ADP400	3.3	69.0	1.0
	CD	B:GLU306	3.3	52.5	1.0
	OE1	B:GLU306	3.8	58.4	1.0
	C5'	B:ADP400	4.0	63.7	1.0
	O5'	B:ADP400	4.0	65.9	1.0
	O1B	B:ADP400	4.1	74.0	1.0
	O3'	B:ADP400	4.2	63.2	1.0
	O3B	B:ADP400	4.3	75.9	1.0
	C3'	B:ADP400	4.4	62.6	1.0
	CG	B:GLU306	4.6	51.1	1.0
	O1A	B:ADP400	4.6	63.4	1.0
	OD2	B:ASP293	4.7	46.8	1.0
	ND2	B:ASN305	4.7	46.9	1.0
	C4'	B:ADP400	4.8	62.4	1.0
	OG	B:SER183	5.0	73.3	1.0

Reference:

S.Liu, J.S.Chang, J.T.Herberg, M.M.Horng, P.K.Tomich, A.H.Lin, K.R.Marotti. Allosteric Inhibition of Staphylococcus Aureus D-Alanine:D-Alanine Ligase Revealed By Crystallographic Studies. Proc.Natl.Acad.Sci.Usa V. 103 15178 2006.
ISSN: ISSN 0027-8424
PubMed: 17015835
DOI: 10.1073/PNAS.0604905103

Page generated: Sun Aug 10 11:33:01 2025

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