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Magnesium in PDB 3m2w: Crystal Structure of Mapkak Kinase 2 (MK2) Complexed with A Spiroazetidine-Tetracyclic Atp Site Inhibitor

Enzymatic activity of Crystal Structure of Mapkak Kinase 2 (MK2) Complexed with A Spiroazetidine-Tetracyclic Atp Site Inhibitor

All present enzymatic activity of Crystal Structure of Mapkak Kinase 2 (MK2) Complexed with A Spiroazetidine-Tetracyclic Atp Site Inhibitor:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Mapkak Kinase 2 (MK2) Complexed with A Spiroazetidine-Tetracyclic Atp Site Inhibitor, PDB code: 3m2w was solved by M.Kroemer, L.Revesz, C.Be, A.Izaac, C.Huppertz, A.Schlapbach, C.Scheufler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.26 / 2.41
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 102.982, 102.982, 165.433, 90.00, 90.00, 120.00
R / Rfree (%) 18.5 / 22.7

Other elements in 3m2w:

The structure of Crystal Structure of Mapkak Kinase 2 (MK2) Complexed with A Spiroazetidine-Tetracyclic Atp Site Inhibitor also contains other interesting chemical elements:

Fluorine (F) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Mapkak Kinase 2 (MK2) Complexed with A Spiroazetidine-Tetracyclic Atp Site Inhibitor (pdb code 3m2w). 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 Mapkak Kinase 2 (MK2) Complexed with A Spiroazetidine-Tetracyclic Atp Site Inhibitor, PDB code: 3m2w:

Magnesium binding site 1 out of 1 in 3m2w

Go back to Magnesium Binding Sites List in 3m2w
Magnesium binding site 1 out of 1 in the Crystal Structure of Mapkak Kinase 2 (MK2) Complexed with A Spiroazetidine-Tetracyclic 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 Mapkak Kinase 2 (MK2) Complexed with A Spiroazetidine-Tetracyclic Atp Site Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg365

b:20.2
occ:1.00
 O A:CYS114 2.3 19.7 1.0
O A:ILE117 2.3 14.6 1.0
O A:SER112 2.3 22.4 1.0
O A:HOH366 2.4 18.2 1.0
O A:HOH2 2.5 23.2 1.0
C A:CYS114 3.3 20.8 1.0
C A:ILE117 3.4 15.1 1.0
C A:SER112 3.5 22.5 1.0
N A:CYS114 3.9 23.3 1.0
C A:GLN113 3.9 24.3 1.0
N A:ARG119 4.0 18.2 1.0
CB A:ARG119 4.1 19.3 1.0
C A:VAL118 4.1 18.1 1.0
N A:ILE117 4.1 15.9 1.0
CA A:ARG119 4.1 19.1 1.0
CA A:CYS114 4.1 22.2 1.0
O A:GLN113 4.1 24.1 1.0
CA A:ILE117 4.2 14.6 1.0
N A:PRO115 4.2 22.2 1.0
CA A:GLN113 4.3 23.3 1.0
OE2 A:GLU139 4.3 23.2 1.0
N A:GLN113 4.3 22.5 1.0
CA A:PRO115 4.4 22.5 1.0
N A:VAL118 4.4 13.8 1.0
O A:VAL118 4.4 19.1 1.0
NZ A:LYS204 4.5 20.8 1.0
CG A:ARG119 4.5 26.2 1.0
CB A:ILE117 4.5 15.5 1.0
CA A:SER112 4.5 21.9 1.0
CA A:VAL118 4.5 16.1 1.0
C A:PRO115 4.6 22.2 1.0
CB A:CYS114 4.8 22.1 1.0
O A:ALA111 4.9 21.5 1.0
N A:HIS116 4.9 19.9 1.0
OG A:SER112 4.9 23.1 1.0
O A:PRO115 5.0 22.8 1.0

Reference:

L.Revesz, A.Schlapbach, R.Aichholz, J.Dawson, R.Feifel, S.Hawtin, A.Littlewood-Evans, G.Koch, M.Kroemer, H.Mobitz, C.Scheufler, J.Velcicky, C.Huppertz. In Vivo and in Vitro Sar of Tetracyclic Mapkap-K2 (MK2) Inhibitors. Part II. Bioorg.Med.Chem.Lett. V. 20 4719 2010.
ISSN: ISSN 0960-894X
PubMed: 20591669
DOI: 10.1016/J.BMCL.2010.04.023
Page generated: Wed Aug 14 19:06:56 2024

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