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Magnesium in PDB 4e9u: Crystal Structure of Dehydrosqualene Synthase (Crtm) From S. Aureus Complexed with A Thiocyanate Inhibitor

Enzymatic activity of Crystal Structure of Dehydrosqualene Synthase (Crtm) From S. Aureus Complexed with A Thiocyanate Inhibitor

All present enzymatic activity of Crystal Structure of Dehydrosqualene Synthase (Crtm) From S. Aureus Complexed with A Thiocyanate Inhibitor:
2.5.1.96;

Protein crystallography data

The structure of Crystal Structure of Dehydrosqualene Synthase (Crtm) From S. Aureus Complexed with A Thiocyanate Inhibitor, PDB code: 4e9u was solved by F.-Y.Lin, J.Axelson, Y.-L.Liu, Y.Zhnag, E.Oldfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.77 / 2.10
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 80.440, 80.440, 90.793, 90.00, 90.00, 120.00
R / Rfree (%) 18.9 / 23.6

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Dehydrosqualene Synthase (Crtm) From S. Aureus Complexed with A Thiocyanate Inhibitor (pdb code 4e9u). 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 Dehydrosqualene Synthase (Crtm) From S. Aureus Complexed with A Thiocyanate Inhibitor, PDB code: 4e9u:

Magnesium binding site 1 out of 1 in 4e9u

Go back to Magnesium Binding Sites List in 4e9u
Magnesium binding site 1 out of 1 in the Crystal Structure of Dehydrosqualene Synthase (Crtm) From S. Aureus Complexed with A Thiocyanate Inhibitor


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 Dehydrosqualene Synthase (Crtm) From S. Aureus Complexed with A Thiocyanate Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg302

b:40.1
occ:1.00
 O A:HOH472 2.4 41.6 1.0
OD1 A:ASP176 2.8 31.7 1.0
O A:HOH496 2.8 36.5 1.0
CG A:ASP176 3.5 33.7 1.0
OD2 A:ASP176 3.6 33.5 1.0
CG1 A:ILE169 3.8 26.4 1.0
CA A:ILE169 3.9 24.0 1.0
CE2 A:TYR183 4.0 30.2 1.0
O A:ASN168 4.1 24.7 1.0
N A:ILE169 4.1 22.3 1.0
OD2 A:ASP172 4.2 31.1 1.0
CB A:ASP172 4.2 28.7 1.0
C A:ASN168 4.2 23.2 1.0
CD2 A:TYR183 4.3 26.1 1.0
OE1 A:GLN165 4.3 29.7 1.0
O A:HOH401 4.4 29.8 1.0
CB A:ILE169 4.5 23.7 1.0
O A:HOH542 4.6 44.6 1.0
CB A:ASN168 4.7 26.3 1.0
CG A:ASP172 4.7 34.8 1.0
CZ A:TYR183 4.7 34.5 1.0
CB A:ASP176 5.0 28.4 1.0
C A:ILE169 5.0 22.9 1.0

Reference:

F.Y.Lin, Y.L.Liu, K.Li, R.Cao, W.Zhu, J.Axelson, R.Pang, E.Oldfield. Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets. J.Med.Chem. V. 55 4367 2012.
ISSN: ISSN 0022-2623
PubMed: 22486710
DOI: 10.1021/JM300208P
Page generated: Fri Aug 16 14:24:45 2024

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