Magnesium in PDB 6r1n: Crystal Structure of S. Aureus Seryl-Trna Synthetase Complexed to Seryl Sulfamoyl Adenosine

Enzymatic activity of Crystal Structure of S. Aureus Seryl-Trna Synthetase Complexed to Seryl Sulfamoyl Adenosine

All present enzymatic activity of Crystal Structure of S. Aureus Seryl-Trna Synthetase Complexed to Seryl Sulfamoyl Adenosine:
6.1.1.11;

Protein crystallography data

The structure of Crystal Structure of S. Aureus Seryl-Trna Synthetase Complexed to Seryl Sulfamoyl Adenosine, PDB code: 6r1n was solved by R.Salimraj, R.Cain, D.I.Roper, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	57.25 / 2.03
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	94.438, 116.413, 91.611, 90.00, 90.00, 90.00
*R / R_free (%)*	17.3 / 22.1

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of S. Aureus Seryl-Trna Synthetase Complexed to Seryl Sulfamoyl Adenosine (pdb code 6r1n). 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 Crystal Structure of S. Aureus Seryl-Trna Synthetase Complexed to Seryl Sulfamoyl Adenosine, PDB code: 6r1n:

Magnesium binding site 1 out of 1 in 6r1n

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Magnesium Binding Sites List in 6r1n

Magnesium binding site 1 out of 1 in the Crystal Structure of S. Aureus Seryl-Trna Synthetase Complexed to Seryl Sulfamoyl Adenosine

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of S. Aureus Seryl-Trna Synthetase Complexed to Seryl Sulfamoyl Adenosine within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg507 b:36.4 occ:0.63	O	A:HOH733	2.3	40.7	1.0
	OE1	A:GLU349	2.4	28.8	1.0
	O	A:HOH933	2.5	45.8	1.0
	O2S	A:SSA501	2.5	26.8	1.0
	O	A:HOH645	2.9	56.9	1.0
	O	A:HOH904	3.0	45.1	1.0
	CD	A:GLU349	3.3	32.7	1.0
	OE2	A:GLU349	3.5	26.8	1.0
	O	A:HOH720	3.5	39.9	1.0
	S1	A:SSA501	3.7	25.3	1.0
	OG	A:SER352	3.9	39.0	1.0
	O	A:HOH908	4.0	60.7	1.0
	O1S	A:SSA501	4.1	21.2	1.0
	CB	A:SER352	4.1	29.4	1.0
	OD2	A:ASP336	4.3	31.5	1.0
	O3'	A:SSA501	4.4	23.2	1.0
	C3'	A:SSA501	4.5	23.4	1.0
	O5'	A:SSA501	4.6	22.4	1.0
	N8	A:SSA501	4.7	22.0	1.0
	O	A:HOH786	4.7	42.2	1.0
	CG	A:GLU349	4.7	24.1	1.0
	OD1	A:ASP336	4.9	25.5	1.0
	CG	A:ASP336	5.0	24.6	1.0

Reference:

R.Cain, R.Salimraj, A.S.Punekar, D.Bellini, C.W.G.Fishwick, L.Czaplewski, D.J.Scott, G.Harris, C.G.Dowson, A.J.Lloyd, D.I.Roper. Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-Trna Synthetase. J.Med.Chem. V. 62 9703 2019.
ISSN: ISSN 0022-2623
PubMed: 31626547
DOI: 10.1021/ACS.JMEDCHEM.9B01131

Page generated: Tue Oct 1 16:29:49 2024

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