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Magnesium in PDB 5aqu: Fragment-Based Screening of HSP70 Sheds Light on the Functional Role of Atp-Binding Site Residues

Enzymatic activity of Fragment-Based Screening of HSP70 Sheds Light on the Functional Role of Atp-Binding Site Residues

All present enzymatic activity of Fragment-Based Screening of HSP70 Sheds Light on the Functional Role of Atp-Binding Site Residues:
3.6.3.51;

Protein crystallography data

The structure of Fragment-Based Screening of HSP70 Sheds Light on the Functional Role of Atp-Binding Site Residues, PDB code: 5aqu was solved by A.M.Jones, I.M.Westwood, J.D.Osborne, T.P.Matthews, M.D.Cheeseman, M.G.Rowlands, F.Jeganathan, R.Burke, D.Lee, N.Kadi, M.Liu, M.Richards, C.Mcandrew, N.Yahya, S.E.Dobson, K.Jones, P.Workman, I.Collins, R.L.M.Vanmontfort, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.51 / 1.92
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 114.024, 40.700, 127.421, 90.00, 114.26, 90.00
R / Rfree (%) 17.8 / 20.1

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Fragment-Based Screening of HSP70 Sheds Light on the Functional Role of Atp-Binding Site Residues (pdb code 5aqu). 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 Fragment-Based Screening of HSP70 Sheds Light on the Functional Role of Atp-Binding Site Residues, PDB code: 5aqu:

Magnesium binding site 1 out of 1 in 5aqu

Go back to Magnesium Binding Sites List in 5aqu
Magnesium binding site 1 out of 1 in the Fragment-Based Screening of HSP70 Sheds Light on the Functional Role of Atp-Binding Site Residues


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Fragment-Based Screening of HSP70 Sheds Light on the Functional Role of Atp-Binding Site Residues within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1264

b:37.8
occ:1.00
 O B:GLU255 2.2 47.0 1.0
OD1 B:ASP204 2.3 55.1 1.0
O B:HOH2050 2.3 51.5 1.0
O B:ILE258 2.5 56.9 1.0
OE2 B:GLU255 2.6 70.5 1.0
CG B:ASP204 3.1 53.5 1.0
C B:GLU255 3.4 46.5 1.0
OD2 B:ASP204 3.5 58.8 1.0
CD B:GLU255 3.5 70.4 1.0
O B:CYS259 3.7 58.3 1.0
C B:ILE258 3.7 57.5 1.0
NZ B:LYS208 3.9 56.2 1.0
CG B:GLU255 3.9 49.2 1.0
C B:CYS259 4.0 59.5 1.0
CA B:GLU255 4.1 38.1 1.0
CB B:ASP204 4.4 39.3 1.0
N B:GLN256 4.4 46.5 1.0
CG1 B:ILE258 4.4 49.8 1.0
N B:GLN260 4.5 57.2 1.0
N B:CYS259 4.5 56.3 1.0
CA B:CYS259 4.5 56.9 1.0
CB B:GLU255 4.6 39.0 1.0
OE1 B:GLU255 4.6 62.2 1.0
CB B:CYS259 4.6 57.8 1.0
N B:ILE258 4.6 48.6 1.0
CA B:GLN256 4.7 48.1 1.0
CA B:ILE258 4.7 49.7 1.0
CA B:GLN260 4.7 81.2 1.0
C B:GLN256 5.0 55.5 1.0

Reference:

A.M.Jones, I.M.Westwood, J.D.Osborne, T.P.Matthews, M.D.Cheeseman, M.G.Rowlands, F.Jeganathan, R.Burke, D.Lee, N.Kadi, M.Liu, M.Richards, C.Mcandrew, N.Yahya, S.E.Dobson, K.Jones, P.Workman, I.Collins, R.L.Van Montfort. A Fragment-Based Approach Applied to A Highly Flexible Target: Insights and Challenges Towards the Inhibition of HSP70 Isoforms. Sci Rep V. 6 34701 2016.
ISSN: ESSN 2045-2322
PubMed: 27708405
DOI: 10.1038/SREP34701
Page generated: Sun Sep 29 00:35:41 2024

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