Fluorine in PDB 1pme: Structure of Penta Mutant Human ERK2 Map Kinase Complexed with A Specific Inhibitor of Human P38 Map Kinase

The structure of Structure of Penta Mutant Human ERK2 Map Kinase Complexed with A Specific Inhibitor of Human P38 Map Kinase, PDB code: 1pme was solved by X.Xie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.640, 69.680, 60.280, 90.00, 109.25, 90.00
R / Rfree (%)	21.2 / 27.3

The binding sites of Fluorine atom in the Structure of Penta Mutant Human ERK2 Map Kinase Complexed with A Specific Inhibitor of Human P38 Map Kinase (pdb code 1pme). 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 Structure of Penta Mutant Human ERK2 Map Kinase Complexed with A Specific Inhibitor of Human P38 Map Kinase, PDB code: 1pme:

Fluorine binding site 1 out of 1 in the Structure of Penta Mutant Human ERK2 Map Kinase Complexed with A Specific Inhibitor of Human P38 Map Kinase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Penta Mutant Human ERK2 Map Kinase Complexed with A Specific Inhibitor of Human P38 Map Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:18.6 occ:1.00 FD3 A:SB21001 0.0 18.6 1.0 CD3 A:SB21001 1.3 17.7 1.0 CD2 A:SB21001 2.3 16.7 1.0 CD4 A:SB21001 2.3 16.3 1.0 CB A:LEU103 3.3 15.4 1.0 C A:LEU103 3.3 11.3 1.0 N A:VAL104 3.4 12.0 1.0 O A:LEU103 3.5 14.0 1.0 C A:VAL104 3.5 10.9 1.0 CD1 A:SB21001 3.5 18.1 1.0 CD5 A:SB21001 3.5 15.9 1.0 CG2 A:THR105 3.6 16.7 1.0 CB A:THR105 3.7 16.2 1.0 O A:VAL104 3.7 11.9 1.0 N A:THR105 3.7 14.4 1.0 CA A:VAL104 3.8 10.0 1.0 CA A:LEU103 3.9 13.5 1.0 CD6 A:SB21001 4.0 21.6 1.0 CA A:THR105 4.3 15.4 1.0 CG1 A:ILE86 4.4 15.6 1.0 CG A:LEU103 4.5 19.0 1.0 CD1 A:LEU103 4.5 16.1 1.0 O A:ALA52 4.6 19.4 1.0 OG1 A:THR105 4.8 16.8 1.0 CD1 A:ILE86 4.9 18.4 1.0 CG2 A:ILE84 4.9 23.1 1.0 CG2 A:ILE86 5.0 17.9 1.0

T.Fox, J.T.Coll, X.Xie, P.J.Ford, U.A.Germann, M.D.Porter, S.Pazhanisamy, M.A.Fleming, V.Galullo, M.S.Su, K.P.Wilson. A Single Amino Acid Substitution Makes ERK2 Susceptible to Pyridinyl Imidazole Inhibitors of P38 Map Kinase. Protein Sci. V. 7 2249 1998.
ISSN: ISSN 0961-8368
PubMed: 9827991