Chlorine in PDB 6c9g: Amp-Activated Protein Kinase Bound to Pharmacological Activator R739

All present enzymatic activity of Amp-Activated Protein Kinase Bound to Pharmacological Activator R739:
2.7.11.1; 2.7.11.26; 2.7.11.27; 2.7.11.31;

The structure of Amp-Activated Protein Kinase Bound to Pharmacological Activator R739, PDB code: 6c9g was solved by Y.Yan, X.E.Zhou, S.Novick, S.J.Shaw, Y.Li, Y.Hitoshi, J.S.Brunzelle, P.R.Griffin, H.E.Xu, K.Melcher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.56 / 2.70
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	122.986, 122.986, 406.048, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 24

The binding sites of Chlorine atom in the Amp-Activated Protein Kinase Bound to Pharmacological Activator R739 (pdb code 6c9g). 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 Amp-Activated Protein Kinase Bound to Pharmacological Activator R739, PDB code: 6c9g:

Chlorine binding site 1 out of 1 in the Amp-Activated Protein Kinase Bound to Pharmacological Activator R739


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Amp-Activated Protein Kinase Bound to Pharmacological Activator R739 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:72.8 occ:1.00 CL1 A:R93601 0.0 72.8 1.0 C10 A:R93601 1.7 41.0 1.0 C11 A:R93601 2.7 45.4 1.0 C7 A:R93601 2.8 47.1 1.0 C3 A:R93601 3.1 42.7 1.0 C2 A:R93601 3.1 47.2 1.0 CG1 B:VAL113 3.5 64.8 1.0 CD1 B:ILE115 3.8 49.6 1.0 CG1 A:VAL13 4.0 76.7 1.0 C12 A:R93601 4.0 51.6 1.0 C14 A:R93601 4.0 35.1 1.0 CZ A:PHE92 4.0 45.5 1.0 CE2 A:PHE92 4.1 43.2 1.0 CG1 B:VAL81 4.1 51.3 1.0 C21 A:R93601 4.2 54.4 1.0 C4 A:R93601 4.2 43.3 1.0 CG1 B:ILE115 4.2 48.8 1.0 CG2 B:VAL113 4.4 53.2 1.0 CG2 B:VAL81 4.4 51.9 1.0 CB B:VAL113 4.4 50.0 1.0 CD1 A:LEU20 4.4 46.2 1.0 C13 A:R93601 4.5 38.4 1.0 CD1 A:ILE48 4.7 40.3 1.0 CB B:VAL81 4.9 55.9 1.0

Y.Yan, X.E.Zhou, S.J.Novick, S.J.Shaw, Y.Li, J.S.Brunzelle, Y.Hitoshi, P.R.Griffin, H.E.Xu, K.Melcher. Structures of Amp-Activated Protein Kinase Bound to Novel Pharmacological Activators in Phosphorylated, Non-Phosphorylated, and Nucleotide-Free States. J. Biol. Chem. V. 294 953 2019.
ISSN: ESSN 1083-351X
PubMed: 30478170
DOI: 10.1074/JBC.RA118.004883