Fluorine in PDB 2bal: P38ALPHA Map Kinase Bound to Pyrazoloamine

All present enzymatic activity of P38ALPHA Map Kinase Bound to Pyrazoloamine:
2.7.1.37;

The structure of P38ALPHA Map Kinase Bound to Pyrazoloamine, PDB code: 2bal was solved by S.Gerhardt, R.A.Pauptit, J.Read, J.Tucker, R.A.Norman, J.Breed, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.54 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.192, 75.162, 77.788, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 26.5

The binding sites of Fluorine atom in the P38ALPHA Map Kinase Bound to Pyrazoloamine (pdb code 2bal). 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 P38ALPHA Map Kinase Bound to Pyrazoloamine, PDB code: 2bal:

Fluorine binding site 1 out of 1 in the P38ALPHA Map Kinase Bound to Pyrazoloamine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of P38ALPHA Map Kinase Bound to Pyrazoloamine within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:22.0 occ:1.00 F11 A:PQA401 0.0 22.0 1.0 C10 A:PQA401 1.3 22.0 1.0 C12 A:PQA401 2.4 21.6 1.0 C9 A:PQA401 2.4 20.7 1.0 CB A:LEU104 3.2 19.8 1.0 CD2 A:LEU75 3.4 24.0 1.0 CD1 A:LEU104 3.5 20.5 1.0 C13 A:PQA401 3.6 22.2 1.0 C8 A:PQA401 3.6 21.4 1.0 CG2 A:THR106 3.9 21.8 1.0 CG A:LEU104 4.0 20.0 1.0 CB A:LYS53 4.1 21.6 1.0 O A:LEU104 4.1 19.6 1.0 C7 A:PQA401 4.1 22.2 1.0 CE A:LYS53 4.1 28.4 1.0 C A:LEU104 4.2 20.1 1.0 CA A:LEU104 4.3 19.7 1.0 OE2 A:GLU71 4.3 25.1 1.0 CG A:LEU75 4.5 23.4 1.0 CD A:LYS53 4.5 26.1 1.0 CG A:LYS53 4.6 23.5 1.0 O A:HOH438 4.8 31.5 1.0 NZ A:LYS53 4.8 28.8 1.0 N A:VAL105 4.9 20.4 1.0

J.E.Sullivan, G.A.Holdgate, D.Campbell, D.Timms, S.Gerhardt, J.Breed, A.L.Breeze, A.Bermingham, R.A.Pauptit, R.A.Norman, K.J.Embrey, J.Read, W.S.Vanscyoc, W.H.Ward. Prevention of MKK6-Dependent Activation By Binding to P38ALPHA Map Kinase. Biochemistry V. 44 16475 2005.
ISSN: ISSN 0006-2960
PubMed: 16342939
DOI: 10.1021/BI051714V