Magnesium in PDB 6ig8: Crystal Structure of Csf-1R Kinase Domain with A Small Molecular Inhibitor, Jte-952

Enzymatic activity of Crystal Structure of Csf-1R Kinase Domain with A Small Molecular Inhibitor, Jte-952

All present enzymatic activity of Crystal Structure of Csf-1R Kinase Domain with A Small Molecular Inhibitor, Jte-952:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Csf-1R Kinase Domain with A Small Molecular Inhibitor, Jte-952, PDB code: 6ig8 was solved by S.Doi, T.Adachi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 59.24 / 1.80
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 62.520, 62.520, 185.310, 90.00, 90.00, 90.00
R / Rfree (%) 15.6 / 19.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Csf-1R Kinase Domain with A Small Molecular Inhibitor, Jte-952 (pdb code 6ig8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Csf-1R Kinase Domain with A Small Molecular Inhibitor, Jte-952, PDB code: 6ig8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 6ig8

Go back to Magnesium Binding Sites List in 6ig8
Magnesium binding site 1 out of 2 in the Crystal Structure of Csf-1R Kinase Domain with A Small Molecular Inhibitor, Jte-952


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 Csf-1R Kinase Domain with A Small Molecular Inhibitor, Jte-952 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1001

b:29.2
occ:1.00
OD1 A:ASP608 2.0 23.6 1.0
O A:HOH1194 2.1 33.7 1.0
O A:HOH1263 2.1 39.6 1.0
CG A:ASP608 3.1 22.4 1.0
OD2 A:ASP608 3.6 26.1 1.0
O A:GLY603 4.1 16.1 1.0
O A:GLY605 4.2 18.6 1.0
CB A:ASP608 4.4 19.8 1.0
O A:HOH1378 4.5 37.0 1.0
CA A:ASP608 4.8 17.7 1.0
C A:GLY603 5.0 16.1 1.0

Magnesium binding site 2 out of 2 in 6ig8

Go back to Magnesium Binding Sites List in 6ig8
Magnesium binding site 2 out of 2 in the Crystal Structure of Csf-1R Kinase Domain with A Small Molecular Inhibitor, Jte-952


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Csf-1R Kinase Domain with A Small Molecular Inhibitor, Jte-952 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1002

b:50.3
occ:1.00
O A:HOH1329 1.8 34.6 1.0
O A:HOH1146 2.2 32.3 1.0
O A:HOH1421 2.2 40.7 1.0
O A:GLU607 4.0 21.1 1.0
OD2 A:ASP608 4.2 26.1 1.0
C A:GLU607 4.4 20.7 1.0
CA A:GLU607 4.5 23.6 1.0
O A:LYS606 4.5 21.8 1.0

Reference:

K.Ikegashira, T.Ikenogami, T.Yamasaki, Y.Hase, T.Yamaguchi, K.Inagaki, S.Doi, T.Adachi, Y.Koga, H.Hashimoto. Discovery of A Novel Azetidine Scaffold For Colony Stimulating Factor-1 Receptor (Csf-1R) Type II Inhibitors By the Use of Docking Models. Bioorg.Med.Chem.Lett. V. 29 115 2019.
ISSN: ESSN 1464-3405
PubMed: 30442420
DOI: 10.1016/J.BMCL.2018.10.051
Page generated: Mon Dec 14 22:57:12 2020

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