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Chlorine in PDB 4f1s: Crystal Structure of Human PI3K-Gamma in Complex with A Pyridyl- Triazine-Sulfonamide Inhibitor

Enzymatic activity of Crystal Structure of Human PI3K-Gamma in Complex with A Pyridyl- Triazine-Sulfonamide Inhibitor

All present enzymatic activity of Crystal Structure of Human PI3K-Gamma in Complex with A Pyridyl- Triazine-Sulfonamide Inhibitor:
2.7.1.153; 2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Human PI3K-Gamma in Complex with A Pyridyl- Triazine-Sulfonamide Inhibitor, PDB code: 4f1s was solved by D.A.Whittington, J.Tang, P.Yakowec, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.58 / 3.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 146.701, 69.079, 107.623, 90.00, 94.87, 90.00
R / Rfree (%) 19.2 / 26.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human PI3K-Gamma in Complex with A Pyridyl- Triazine-Sulfonamide Inhibitor (pdb code 4f1s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Human PI3K-Gamma in Complex with A Pyridyl- Triazine-Sulfonamide Inhibitor, PDB code: 4f1s:

Chlorine binding site 1 out of 1 in 4f1s

Go back to Chlorine Binding Sites List in 4f1s
Chlorine binding site 1 out of 1 in the Crystal Structure of Human PI3K-Gamma in Complex with A Pyridyl- Triazine-Sulfonamide Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human PI3K-Gamma in Complex with A Pyridyl- Triazine-Sulfonamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1207

b:63.8
occ:1.00
 CL2 A:F1S1207 0.0 63.8 1.0
C21 A:F1S1207 1.7 64.3 1.0
N22 A:F1S1207 2.7 65.6 1.0
C26 A:F1S1207 2.7 66.0 1.0
N27 A:F1S1207 2.9 68.2 1.0
NZ A:LYS833 3.4 64.5 1.0
OD1 A:ASP964 3.6 52.0 1.0
CG A:ASP964 3.7 52.0 1.0
OD2 A:ASP841 3.9 54.3 1.0
C23 A:F1S1207 3.9 64.9 1.0
C25 A:F1S1207 4.0 65.7 1.0
OD2 A:ASP964 4.0 53.3 1.0
CA A:ASP964 4.1 49.0 1.0
CB A:ASP964 4.1 50.6 1.0
CD2 A:LEU838 4.1 51.5 1.0
CD1 A:ILE879 4.2 45.3 1.0
OD1 A:ASP841 4.2 55.5 1.0
CG A:ASP841 4.3 53.9 1.0
S30 A:F1S1207 4.3 66.9 1.0
CE A:LYS833 4.4 65.2 1.0
CD A:LYS833 4.4 63.7 1.0
C24 A:F1S1207 4.5 64.6 1.0
O32 A:F1S1207 4.8 67.5 1.0
C31 A:F1S1207 4.8 62.5 1.0
N A:ASP964 4.8 47.5 1.0
C A:ASP964 5.0 49.8 1.0

Reference:

R.P.Wurz, L.Liu, K.Yang, N.Nishimura, Y.Bo, L.H.Pettus, S.Caenepeel, D.J.Freeman, J.D.Mccarter, E.L.Mullady, T.S.Miguel, L.Wang, N.Zhang, K.L.Andrews, D.A.Whittington, J.Jiang, R.Subramanian, P.E.Hughes, M.H.Norman. Synthesis and Structure-Activity Relationships of Dual PI3K/Mtor Inhibitors Based on A 4-Amino-6-Methyl-1,3,5-Triazine Sulfonamide Scaffold. Bioorg.Med.Chem.Lett. V. 22 5714 2012.
ISSN: ISSN 0960-894X
PubMed: 22832322
DOI: 10.1016/J.BMCL.2012.06.078
Page generated: Sun Jul 21 13:31:41 2024

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