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Magnesium in PDB 8a21: Crystal Structure of Phosphoserine Phosphatase Serb From Mycobacterium Avium in Complex with Phenylimidazole

Enzymatic activity of Crystal Structure of Phosphoserine Phosphatase Serb From Mycobacterium Avium in Complex with Phenylimidazole

All present enzymatic activity of Crystal Structure of Phosphoserine Phosphatase Serb From Mycobacterium Avium in Complex with Phenylimidazole:
3.1.3.3;

Protein crystallography data

The structure of Crystal Structure of Phosphoserine Phosphatase Serb From Mycobacterium Avium in Complex with Phenylimidazole, PDB code: 8a21 was solved by M.Haufroid, J.Wouters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.09 / 2.18
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 65.57, 109.74, 133.97, 90, 90, 90
R / Rfree (%) 20.6 / 27.1

Other elements in 8a21:

The structure of Crystal Structure of Phosphoserine Phosphatase Serb From Mycobacterium Avium in Complex with Phenylimidazole also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Phosphoserine Phosphatase Serb From Mycobacterium Avium in Complex with Phenylimidazole (pdb code 8a21). 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 Phosphoserine Phosphatase Serb From Mycobacterium Avium in Complex with Phenylimidazole, PDB code: 8a21:

Magnesium binding site 1 out of 1 in 8a21

Go back to Magnesium Binding Sites List in 8a21
Magnesium binding site 1 out of 1 in the Crystal Structure of Phosphoserine Phosphatase Serb From Mycobacterium Avium in Complex with Phenylimidazole


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 Phosphoserine Phosphatase Serb From Mycobacterium Avium in Complex with Phenylimidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:32.8
occ:1.00
 O A:ASP189 1.9 30.4 1.0
O A:HOH634 2.1 25.9 1.0
O A:HOH705 2.1 31.7 1.0
O A:HOH617 2.1 24.7 1.0
OD1 A:ASP343 2.2 39.1 1.0
OD2 A:ASP187 2.2 35.6 1.0
OD2 A:ASP343 2.7 41.4 1.0
CG A:ASP343 2.8 37.2 1.0
C A:ASP189 3.1 31.4 1.0
CG A:ASP187 3.3 36.9 1.0
O A:HOH622 3.7 36.0 1.0
OE2 A:GLU196 3.7 32.1 1.0
OD1 A:ASP187 3.8 35.8 1.0
CB A:ASP189 3.8 31.7 1.0
CA A:ASP189 3.8 33.7 1.0
CB A:SER190 3.9 33.4 1.0
N A:SER190 4.1 28.1 1.0
N A:ASP189 4.1 32.4 1.0
OG1 A:THR191 4.2 29.1 1.0
CB A:ASP343 4.3 32.7 1.0
CA A:SER190 4.4 36.0 1.0
OD2 A:ASP347 4.5 29.2 1.0
C A:SER190 4.5 35.1 1.0
SD A:MET219 4.6 45.7 1.0
CB A:ASP187 4.6 28.1 1.0
N A:THR191 4.7 28.0 1.0
CD A:GLU196 4.7 36.0 1.0
N A:GLY344 4.8 34.2 1.0
N A:ASP343 4.8 35.3 1.0
C A:VAL188 4.9 27.1 1.0
OG A:SER190 4.9 40.0 1.0
OE1 A:GLU196 4.9 36.5 1.0
O A:HOH605 4.9 30.6 1.0
CA A:ASP343 5.0 36.5 1.0
O A:SER190 5.0 26.4 1.0

Reference:

M.Haufroid, A.N.Volkov, J.Wouters. Targeting the Phosphoserine Phosphatase MTSERB2 For Tuberculosis Drug Discovery, An Hybrid Knowledge Based /Fragment Based Approach. Eur.J.Med.Chem. V. 245 14935 2022.
ISSN: ISSN 0223-5234
PubMed: 36403421
DOI: 10.1016/J.EJMECH.2022.114935
Page generated: Thu Oct 3 17:10:26 2024

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