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Magnesium in PDB 3kga: Crystal Structure of Mapkap Kinase 2 (MK2) Complexed with A Potent 3-Aminopyrazole Atp Site Inhibitor

Enzymatic activity of Crystal Structure of Mapkap Kinase 2 (MK2) Complexed with A Potent 3-Aminopyrazole Atp Site Inhibitor

All present enzymatic activity of Crystal Structure of Mapkap Kinase 2 (MK2) Complexed with A Potent 3-Aminopyrazole Atp Site Inhibitor:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Mapkap Kinase 2 (MK2) Complexed with A Potent 3-Aminopyrazole Atp Site Inhibitor, PDB code: 3kga was solved by M.Kroemer, J.Velcicky, A.Izaac, C.Be, C.Huppertz, D.Pflieger, A.Schlapbach, C.Scheufler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.30 / 2.55
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 103.120, 103.120, 165.415, 90.00, 90.00, 120.00
R / Rfree (%) 18 / 23.5

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Mapkap Kinase 2 (MK2) Complexed with A Potent 3-Aminopyrazole Atp Site Inhibitor (pdb code 3kga). 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 Mapkap Kinase 2 (MK2) Complexed with A Potent 3-Aminopyrazole Atp Site Inhibitor, PDB code: 3kga:

Magnesium binding site 1 out of 1 in 3kga

Go back to Magnesium Binding Sites List in 3kga
Magnesium binding site 1 out of 1 in the Crystal Structure of Mapkap Kinase 2 (MK2) Complexed with A Potent 3-Aminopyrazole Atp Site 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 Mapkap Kinase 2 (MK2) Complexed with A Potent 3-Aminopyrazole Atp Site Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1

b:30.0
occ:1.00
 O A:CYS114 2.3 34.9 1.0
O A:HOH17 2.3 35.4 1.0
O A:ILE117 2.3 26.9 1.0
O A:SER112 2.5 29.0 1.0
C A:CYS114 3.3 33.1 1.0
C A:ILE117 3.4 24.6 1.0
C A:SER112 3.6 28.9 1.0
N A:CYS114 3.8 34.0 1.0
C A:GLN113 3.9 33.9 1.0
N A:ILE117 4.0 23.3 1.0
N A:ARG119 4.0 26.6 1.0
CB A:ARG119 4.1 27.9 1.0
CA A:ARG119 4.1 28.5 1.0
CA A:CYS114 4.1 33.0 1.0
N A:PRO115 4.2 32.9 1.0
CA A:ILE117 4.2 23.3 1.0
C A:VAL118 4.2 24.6 1.0
CA A:PRO115 4.2 31.1 1.0
O A:GLN113 4.3 32.3 1.0
CA A:GLN113 4.3 33.0 1.0
C A:PRO115 4.4 30.8 1.0
CE A:LYS204 4.4 28.6 1.0
N A:GLN113 4.4 30.1 1.0
OE2 A:GLU139 4.4 40.5 1.0
N A:VAL118 4.5 23.3 1.0
CB A:ILE117 4.5 24.2 1.0
O A:VAL118 4.6 25.5 1.0
CG A:ARG119 4.6 36.3 1.0
CA A:VAL118 4.6 22.4 1.0
CA A:SER112 4.7 28.4 1.0
O A:PRO115 4.7 32.0 1.0
N A:HIS116 4.7 28.1 1.0
CB A:CYS114 4.8 33.4 1.0
O A:ALA111 4.9 27.5 1.0
CD A:LYS204 5.0 31.7 1.0

Reference:

J.Velcicky, R.Feifel, S.Hawtin, R.Heng, C.Huppertz, G.Koch, M.Kroemer, H.Moebitz, L.Revesz, C.Scheufler, A.Schlapbach. Novel 3-Aminopyrazole Inhibitors of Mk-2 Discovered By Scaffold Hopping Strategy. Bioorg.Med.Chem.Lett. V. 20 1293 2010.
ISSN: ISSN 0960-894X
PubMed: 20060294
DOI: 10.1016/J.BMCL.2009.10.138
Page generated: Mon Dec 14 08:22:25 2020

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