Chlorine in PDB 4qfg: Structure of Ampk in Complex with Staurosporine Inhibitor and in the Absence of A Synthetic Activator

All present enzymatic activity of Structure of Ampk in Complex with Staurosporine Inhibitor and in the Absence of A Synthetic Activator:
2.7.11.1; 2.7.11.26; 2.7.11.27; 2.7.11.31;

The structure of Structure of Ampk in Complex with Staurosporine Inhibitor and in the Absence of A Synthetic Activator, PDB code: 4qfg was solved by M.F.Calabrese, R.G.Kurumbail, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.86 / 3.46
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	124.370, 124.370, 404.060, 90.00, 90.00, 120.00
R / Rfree (%)	22.2 / 26.7

The binding sites of Chlorine atom in the Structure of Ampk in Complex with Staurosporine Inhibitor and in the Absence of A Synthetic Activator (pdb code 4qfg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Ampk in Complex with Staurosporine Inhibitor and in the Absence of A Synthetic Activator, PDB code: 4qfg:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of Ampk in Complex with Staurosporine Inhibitor and in the Absence of A Synthetic Activator


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Ampk in Complex with Staurosporine Inhibitor and in the Absence of A Synthetic Activator within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:65.1 occ:1.00 H23 A:STU601 3.4 43.8 1.0 N A:VAL24 3.6 55.9 1.0 H283 A:STU601 3.7 42.1 1.0 H263 A:STU601 3.8 46.6 1.0 CA A:GLY23 4.2 46.6 1.0 C A:GLY23 4.4 55.2 1.0 C23 A:STU601 4.5 44.1 1.0 CG2 A:VAL24 4.6 63.1 1.0 CA A:VAL24 4.6 59.0 1.0 CB A:VAL24 4.6 62.6 1.0 C28 A:STU601 4.7 41.7 1.0 N A:GLY25 4.7 67.1 1.0 C26 A:STU601 4.7 46.5 1.0 H22 A:STU601 4.9 50.2 1.0 H262 A:STU601 4.9 46.3 1.0 N4 A:STU601 5.0 41.4 1.0 H282 A:STU601 5.0 41.5 1.0

Chlorine binding site 2 out of 3 in the Structure of Ampk in Complex with Staurosporine Inhibitor and in the Absence of A Synthetic Activator


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Ampk in Complex with Staurosporine Inhibitor and in the Absence of A Synthetic Activator within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:95.3 occ:1.00 NZ A:LYS34 3.1 96.5 1.0 NZ A:LYS41 3.4 83.3 1.0 CE A:LYS41 3.6 71.4 1.0 CE A:LYS34 3.6 86.2 1.0 CD A:LYS34 3.7 71.4 1.0 CG A:LYS34 5.0 59.5 1.0

Chlorine binding site 3 out of 3 in the Structure of Ampk in Complex with Staurosporine Inhibitor and in the Absence of A Synthetic Activator


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Ampk in Complex with Staurosporine Inhibitor and in the Absence of A Synthetic Activator within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:52.7 occ:1.00 N A:ALA149 3.3 71.0 1.0 CB A:ALA149 3.6 74.9 1.0 N A:SER97 3.6 57.3 1.0 OG A:SER97 3.8 75.3 1.0 CA A:ALA149 4.1 72.7 1.0 CB A:ASP148 4.1 65.4 1.0 CB A:SER97 4.1 63.7 1.0 CA A:VAL96 4.1 55.4 1.0 C A:ASP148 4.2 70.6 1.0 CA A:ASP148 4.3 62.9 1.0 C A:VAL96 4.4 60.4 1.0 O A:TYR95 4.5 62.4 1.0 CA A:SER97 4.5 57.3 1.0 CB A:VAL96 4.7 57.3 1.0 CG1 A:VAL96 4.8 56.9 1.0 OD2 A:ASP148 4.8 85.2 1.0 CG A:ASP148 4.8 79.0 1.0

M.F.Calabrese, F.Rajamohan, M.S.Harris, N.L.Caspers, R.Magyar, J.M.Withka, H.Wang, K.A.Borzilleri, P.V.Sahasrabudhe, L.R.Hoth, K.F.Geoghegan, S.Han, J.Brown, T.A.Subashi, A.R.Reyes, R.K.Frisbie, J.Ward, R.A.Miller, J.A.Landro, A.T.Londregan, P.A.Carpino, S.Cabral, A.C.Smith, E.L.Conn, K.O.Cameron, X.Qiu, R.G.Kurumbail. Structural Basis For Ampk Activation: Natural and Synthetic Ligands Regulate Kinase Activity From Opposite Poles By Different Molecular Mechanisms. Structure V. 22 1161 2014.
ISSN: ISSN 0969-2126
PubMed: 25066137
DOI: 10.1016/J.STR.2014.06.009