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Magnesium in PDB 3m42: Crystal Structure of Mapkap Kinase 2 (MK2) Complexed with A Tetracyclic Atp Site Inhibitor

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

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

Protein crystallography data

The structure of Crystal Structure of Mapkap Kinase 2 (MK2) Complexed with A Tetracyclic Atp Site Inhibitor, PDB code: 3m42 was solved by C.Scheufler, L.Revesz, C.Be, A.Izaac, C.Huppertz, A.Schlapbach, M.Kroemer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.33 / 2.68
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 103.200, 103.200, 166.600, 90.00, 90.00, 120.00
R / Rfree (%) n/a / n/a

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Mapkap Kinase 2 (MK2) Complexed with A Tetracyclic Atp Site Inhibitor (pdb code 3m42). 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 Tetracyclic Atp Site Inhibitor, PDB code: 3m42:

Magnesium binding site 1 out of 1 in 3m42

Go back to Magnesium Binding Sites List in 3m42
Magnesium binding site 1 out of 1 in the Crystal Structure of Mapkap Kinase 2 (MK2) Complexed with A 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 Mapkap Kinase 2 (MK2) Complexed with A Tetracyclic Atp Site Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1

b:41.6
occ:1.00
 O A:SER112 2.2 33.1 1.0
O A:HOH17 2.2 49.0 1.0
O A:CYS114 2.2 37.3 1.0
O A:ILE117 2.4 30.8 1.0
C A:CYS114 3.2 38.9 1.0
C A:SER112 3.3 35.6 1.0
C A:ILE117 3.6 30.8 1.0
C A:GLN113 3.6 41.5 1.0
N A:CYS114 3.7 41.1 1.0
CA A:GLN113 3.9 40.8 1.0
O A:GLN113 3.9 41.2 1.0
N A:GLN113 4.0 38.3 1.0
CA A:CYS114 4.0 40.5 1.0
CB A:ARG119 4.1 36.7 1.0
N A:ILE117 4.1 31.2 1.0
N A:ARG119 4.2 33.6 1.0
N A:PRO115 4.2 38.3 1.0
CA A:ARG119 4.2 34.4 1.0
C A:VAL118 4.2 31.9 1.0
CA A:ILE117 4.3 30.2 1.0
O A:VAL118 4.3 32.6 1.0
CA A:PRO115 4.4 37.6 1.0
CA A:SER112 4.4 34.9 1.0
CB A:ILE117 4.5 28.5 1.0
C A:PRO115 4.5 37.0 1.0
OE2 A:GLU139 4.5 38.5 1.0
O A:ALA111 4.6 33.9 1.0
N A:VAL118 4.6 29.8 1.0
CG A:ARG119 4.7 41.1 1.0
CB A:CYS114 4.7 41.2 1.0
N A:HIS116 4.7 35.5 1.0
CA A:VAL118 4.8 31.0 1.0
O A:PRO115 4.8 37.7 1.0
CE A:LYS204 4.8 44.2 1.0
OG A:SER112 5.0 38.3 1.0

Reference:

L.Revesz, A.Schlapbach, R.Aichholz, R.Feifel, S.Hawtin, R.Heng, P.Hiestand, W.Jahnke, G.Koch, H.Moebitz, C.Scheufler, J.Velcicky, C.Huppertz. Novel Pyrrolo[2,3-F]Isoquinoline Based Mapkap-K2 (MK2) Inhibitors with Potent in Vitro and in Vivo Activity To Be Published.
Page generated: Mon Dec 14 08:25:29 2020

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