Fluorine in PDB 2a4z: Crystal Structure of Human PI3KGAMMA Complexed with AS604850

All present enzymatic activity of Crystal Structure of Human PI3KGAMMA Complexed with AS604850:
2.7.1.153;

The structure of Crystal Structure of Human PI3KGAMMA Complexed with AS604850, PDB code: 2a4z was solved by M.Camps, T.Ruckle, H.Ji, V.Ardissone, F.Rintelen, J.Shaw, C.Ferrandi, C.Chabert, C.Gillieron, B.Francon, T.Martin, D.Gretener, D.Perrin, D.Leroy, P.-A.Vitte, E.Hirsch, M.P.Wymann, R.Cirillo, M.K.Schwarz, C.Rommel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.75 / 2.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	142.352, 67.648, 106.390, 90.00, 95.77, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Fluorine atom in the Crystal Structure of Human PI3KGAMMA Complexed with AS604850 (pdb code 2a4z). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human PI3KGAMMA Complexed with AS604850, PDB code: 2a4z:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Human PI3KGAMMA Complexed with AS604850


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 Human PI3KGAMMA Complexed with AS604850 within 5.0Å range: probe atom residue distance (Å) B Occ A:F101 b:45.3 occ:1.00 F17 A:BYM101 0.0 45.3 1.0 C14 A:BYM101 1.4 48.3 1.0 F19 A:BYM101 2.2 47.4 1.0 O10 A:BYM101 2.3 39.2 1.0 O12 A:BYM101 2.3 52.6 1.0 C8 A:BYM101 2.9 42.7 1.0 C9 A:BYM101 3.0 43.2 1.0 N A:VAL882 3.5 47.8 1.0 CZ3 A:TRP812 3.5 38.3 1.0 CA A:ILE881 3.7 40.1 1.0 CH2 A:TRP812 3.7 43.5 1.0 CG2 A:ILE881 3.8 6.8 1.0 CD1 A:ILE831 3.8 31.1 1.0 C A:ILE881 4.0 48.0 1.0 CB A:ILE881 4.1 34.8 1.0 CG1 A:ILE881 4.1 50.3 1.0 O A:VAL882 4.2 65.8 1.0 C11 A:BYM101 4.2 42.4 1.0 C13 A:BYM101 4.2 43.7 1.0 O A:GLU880 4.4 45.4 1.0 CA A:VAL882 4.5 52.8 1.0 CE3 A:TRP812 4.6 43.3 1.0 C A:VAL882 4.6 58.3 1.0 CE A:MET953 4.7 19.8 1.0 CG1 A:ILE831 4.8 24.0 1.0 CB A:VAL882 4.8 52.0 1.0 N A:ILE881 4.8 35.6 1.0 CZ2 A:TRP812 4.9 34.4 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Human PI3KGAMMA Complexed with AS604850


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human PI3KGAMMA Complexed with AS604850 within 5.0Å range: probe atom residue distance (Å) B Occ A:F101 b:47.4 occ:1.00 F19 A:BYM101 0.0 47.4 1.0 C14 A:BYM101 1.4 48.3 1.0 F17 A:BYM101 2.2 45.3 1.0 O12 A:BYM101 2.3 52.6 1.0 O10 A:BYM101 2.3 39.2 1.0 CE A:MET953 2.9 19.8 1.0 O A:VAL882 3.2 65.8 1.0 C9 A:BYM101 3.3 43.2 1.0 C8 A:BYM101 3.3 42.7 1.0 CB A:ALA885 3.4 55.3 1.0 SD A:MET953 3.8 42.4 1.0 N A:VAL882 4.0 47.8 1.0 CB A:VAL882 4.1 52.0 1.0 C A:VAL882 4.1 58.3 1.0 CA A:VAL882 4.3 52.8 1.0 CA A:ALA885 4.3 43.4 1.0 CZ A:PHE961 4.4 28.8 1.0 C A:ALA885 4.4 52.3 1.0 O A:ALA885 4.4 47.5 1.0 N A:ALA885 4.6 42.3 1.0 C13 A:BYM101 4.7 43.7 1.0 C11 A:BYM101 4.7 42.4 1.0 CH2 A:TRP812 4.8 43.5 1.0 CZ3 A:TRP812 4.9 38.3 1.0 CE1 A:PHE961 4.9 27.7 1.0 CG1 A:VAL882 5.0 41.5 1.0 CG2 A:VAL882 5.0 51.1 1.0 C A:ILE881 5.0 48.0 1.0

M.Camps, T.Ruckle, H.Ji, V.Ardissone, F.Rintelen, J.Shaw, C.Ferrandi, C.Chabert, C.Gillieron, B.Francon, T.Martin, D.Gretener, D.Perrin, D.Leroy, P.-A.Vitte, E.Hirsch, M.P.Wymann, R.Cirillo, M.K.Schwarz, C.Rommel. Blockade of PI3KGAMMA Suppresses Joint Inflammation and Damage in Mouse Models of Rheumatoid Arthritis Nat.Med. (N.Y.) V. 11 936 2005.
ISSN: ISSN 1078-8956
PubMed: 16127437
DOI: 10.1038/NM1284