Atomistry » Magnesium » PDB 4mfe-4mpj » 4mh7
Atomistry »
  Magnesium »
    PDB 4mfe-4mpj »
      4mh7 »

Magnesium in PDB 4mh7: Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC1896

Enzymatic activity of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC1896

All present enzymatic activity of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC1896:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC1896, PDB code: 4mh7 was solved by W.Zhang, A.Mciver, M.A.Stashko, D.Deryckere, B.R.Branchford, D.Hunter, D.B.Kireev, M.J.Miley, J.Norris-Drouin, W.M.Stewart, M.Lee, S.Sather, Y.Zhou, J.A.Dipaola, M.Machius, W.P.Janzen, H.S.Earp, D.K.Graham, S.Frye, X.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.06 / 2.51
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.874, 90.864, 69.587, 90.00, 99.98, 90.00
R / Rfree (%) 22.3 / 27.9

Other elements in 4mh7:

The structure of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC1896 also contains other interesting chemical elements:

Chlorine (Cl) 8 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC1896 (pdb code 4mh7). 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 the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC1896, PDB code: 4mh7:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4mh7

Go back to Magnesium Binding Sites List in 4mh7
Magnesium binding site 1 out of 2 in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC1896


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 the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC1896 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg905

b:41.6
occ:1.00
 OD2 A:ASP741 2.0 41.0 1.0
OD1 A:ASN728 2.7 33.5 1.0
CG A:ASP741 3.2 42.7 1.0
H241 A:MH7906 3.3 45.7 1.0
O24 A:MH7906 3.6 38.1 1.0
CG A:ASN728 3.8 30.6 1.0
H222 A:MH7906 3.9 39.1 1.0
OD1 A:ASP741 4.0 46.2 1.0
HD21 A:ASN728 4.0 37.7 1.0
HB2 A:ASP741 4.0 44.6 1.0
CB A:ASP741 4.2 37.1 1.0
ND2 A:ASN728 4.3 31.4 1.0
HB3 A:ASP741 4.4 44.6 1.0
HG3 A:ARG727 4.4 34.8 1.0
HA A:ASN728 4.5 31.2 1.0
C23 A:MH7906 4.5 33.9 1.0
C22 A:MH7906 4.6 32.6 1.0
H231 A:MH7906 4.6 40.7 1.0
H221 A:MH7906 4.6 39.1 1.0
H011 A:MH7906 4.8 45.1 1.0
HD2 A:ARG727 4.8 33.6 1.0
CB A:ASN728 5.0 27.3 1.0

Magnesium binding site 2 out of 2 in 4mh7

Go back to Magnesium Binding Sites List in 4mh7
Magnesium binding site 2 out of 2 in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC1896


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 the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC1896 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg905

b:34.9
occ:1.00
 O B:PRO692 2.1 32.0 1.0
O B:LEU688 2.3 33.6 1.0
O B:SER686 2.5 30.6 1.0
OE1 A:GLU823 2.8 39.0 1.0
OE2 A:GLU823 2.9 39.9 1.0
CD A:GLU823 3.0 39.3 1.0
HA B:LYS693 3.2 40.6 1.0
C B:PRO692 3.3 33.1 1.0
C B:SER686 3.3 26.2 1.0
HA B:SER686 3.3 32.8 1.0
C B:LEU688 3.5 32.4 1.0
O B:GLY691 3.6 34.2 1.0
H B:LEU688 3.7 34.8 1.0
CA B:LYS693 3.8 33.8 1.0
C B:LYS693 3.8 33.0 1.0
CA B:SER686 3.8 27.3 1.0
N B:LEU688 3.9 29.0 1.0
HB2 A:GLU823 3.9 44.0 1.0
N B:LYS693 3.9 35.2 1.0
HA B:GLU689 4.0 41.2 1.0
O B:TYR685 4.0 25.5 1.0
O B:LYS693 4.0 30.0 1.0
C B:GLY691 4.1 33.8 1.0
N B:HIS694 4.1 35.4 1.0
CG A:GLU823 4.2 38.6 1.0
N B:ARG687 4.3 25.2 1.0
H B:HIS694 4.3 42.5 1.0
CA B:LEU688 4.3 29.2 1.0
C B:ARG687 4.3 27.2 1.0
N B:GLU689 4.4 34.9 1.0
N B:PRO692 4.4 33.6 1.0
CA B:PRO692 4.4 31.6 1.0
HG2 A:GLU823 4.4 46.4 1.0
CA B:GLU689 4.5 34.4 1.0
HA B:ARG687 4.5 33.9 1.0
HB2 B:SER686 4.5 31.4 1.0
O B:GLU689 4.5 38.1 1.0
CB A:GLU823 4.6 36.6 1.0
HA B:HIS694 4.6 38.0 1.0
CA B:ARG687 4.6 28.2 1.0
C B:GLU689 4.7 35.5 1.0
H B:LYS693 4.8 42.3 1.0
HA3 B:GLY691 4.8 40.0 1.0
CB B:SER686 4.8 26.2 1.0
C B:TYR685 4.9 24.2 1.0
N B:SER686 4.9 24.6 1.0
CA B:GLY691 4.9 33.3 1.0
HA A:GLU823 4.9 43.0 1.0
HA B:LEU688 4.9 35.1 1.0
CA B:HIS694 5.0 31.7 1.0
O B:ARG687 5.0 28.6 1.0
H B:ARG687 5.0 30.2 1.0

Reference:

W.Zhang, A.L.Mciver, M.A.Stashko, D.Deryckere, B.R.Branchford, D.Hunter, D.Kireev, M.J.Miley, J.Norris-Drouin, W.M.Stewart, M.Lee, S.Sather, Y.Zhou, J.A.Di Paola, M.Machius, W.P.Janzen, H.S.Earp, D.K.Graham, S.V.Frye, X.Wang. Discovery of Mer Specific Tyrosine Kinase Inhibitors For the Treatment and Prevention of Thrombosis. J.Med.Chem. V. 56 9693 2013.
ISSN: ISSN 0022-2623
PubMed: 24219778
DOI: 10.1021/JM4013888
Page generated: Mon Aug 19 23:12:39 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy