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Fluorine 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:

Magnesium (Mg) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine 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 Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Mapkak Kinase 2 (MK2) Complexed with A Spiroazetidine-Tetracyclic Atp Site Inhibitor, PDB code: 3m2w:

Fluorine binding site 1 out of 1 in 3m2w

Go back to Fluorine Binding Sites List in 3m2w
Fluorine 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 Fluorine with other atoms in the F 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:F1

b:32.4
occ:1.00
 F1 A:L8I1 0.0 32.4 1.0
C2 A:L8I1 1.3 28.4 1.0
C10 A:L8I1 2.3 26.2 1.0
C3 A:L8I1 2.4 24.0 1.0
C18 A:L8I1 2.8 23.5 1.0
C12 A:L8I1 2.9 25.5 1.0
O A:HOH428 3.0 30.9 1.0
O A:LEU70 3.1 27.5 0.5
O A:HOH435 3.2 31.7 1.0
O A:LEU141 3.6 22.1 1.0
C8 A:L8I1 3.6 26.8 1.0
C4 A:L8I1 3.6 28.6 1.0
CD1 A:LEU193 4.0 24.2 1.0
C17 A:L8I1 4.1 21.6 1.0
C6 A:L8I1 4.1 32.1 1.0
N13 A:L8I1 4.1 23.6 1.0
CB A:LEU70 4.2 31.4 0.5
C A:LEU70 4.2 30.3 0.5
O A:VAL78 4.5 35.1 0.5
N21 A:L8I1 4.7 20.3 1.0
C A:LEU141 4.7 23.3 1.0
CA A:LEU70 4.7 31.7 0.5
C20 A:L8I1 4.8 18.9 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 Jul 31 20:39:03 2024

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