Chlorine in PDB 5t5t: Ampk Bound to Allosteric Activator

All present enzymatic activity of Ampk Bound to Allosteric Activator:
2.7.11.1; 2.7.11.26; 2.7.11.27; 2.7.11.31;

The structure of Ampk Bound to Allosteric Activator, PDB code: 5t5t 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)	40.93 / 3.46
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	125.040, 125.040, 403.360, 90.00, 90.00, 120.00
R / Rfree (%)	21.1 / 23.1

The binding sites of Chlorine atom in the Ampk Bound to Allosteric Activator (pdb code 5t5t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Ampk Bound to Allosteric Activator, PDB code: 5t5t:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Ampk Bound to Allosteric Activator


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ampk Bound to Allosteric Activator within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:77.6 occ:1.00 N A:ALA149 3.4 91.3 1.0 OG A:SER97 3.4 98.2 1.0 CB A:ALA149 3.7 95.6 1.0 N A:SER97 3.8 82.4 1.0 CB A:ASP148 3.9 86.7 1.0 CB A:SER97 4.1 88.3 1.0 CA A:ASP148 4.1 84.3 1.0 CA A:ALA149 4.1 93.3 1.0 C A:ASP148 4.2 91.5 1.0 CA A:VAL96 4.3 79.6 1.0 O A:TYR95 4.5 85.7 1.0 CA A:SER97 4.6 82.9 1.0 C A:VAL96 4.6 84.2 1.0 CG A:ASP148 4.9 97.8 1.0 CB A:VAL96 4.9 82.6 1.0 CG1 A:VAL96 4.9 82.8 1.0

Chlorine binding site 2 out of 4 in the Ampk Bound to Allosteric Activator


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ampk Bound to Allosteric Activator within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:79.2 occ:1.00 O A:GLY210 3.4 84.2 1.0 CG2 A:ILE105 3.9 86.9 1.0 CE1 A:PHE102 4.0 79.9 1.0 CD1 A:PHE102 4.1 78.3 1.0 C A:GLY210 4.2 84.8 1.0 CB A:ILE105 4.5 85.2 1.0 SG A:CYS106 4.7 89.7 1.0 N A:THR211 4.7 82.3 1.0 CA A:THR211 4.8 82.8 1.0 O A:PHE102 4.9 78.6 1.0 CB A:ALA206 4.9 67.9 1.0 CZ A:PHE102 5.0 78.6 1.0 C A:THR211 5.0 86.9 1.0

Chlorine binding site 3 out of 4 in the Ampk Bound to Allosteric Activator


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ampk Bound to Allosteric Activator within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:0.6 occ:1.00 N A:VAL24 3.4 81.9 1.0 CA A:GLY23 3.7 76.2 1.0 O A:VAL24 3.8 90.9 1.0 C23 A:STU601 3.9 66.0 1.0 C28 A:STU601 3.9 66.5 1.0 C A:GLY23 4.0 83.2 1.0 C26 A:STU601 4.1 67.2 1.0 C A:VAL24 4.4 91.3 1.0 O4 A:STU601 4.4 65.6 1.0 CA A:VAL24 4.4 83.4 1.0 N4 A:STU601 4.5 65.7 1.0 C24 A:STU601 4.6 65.2 1.0 CG2 A:VAL24 4.6 87.2 1.0 C22 A:STU601 4.7 67.9 1.0 C21 A:STU601 4.7 66.8 1.0 C25 A:STU601 4.8 65.0 1.0 O A:LEU22 4.9 77.7 1.0 N A:GLY23 5.0 75.9 1.0

Chlorine binding site 4 out of 4 in the Ampk Bound to Allosteric Activator


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Ampk Bound to Allosteric Activator within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl4000 b:83.1 occ:1.00 CL1 B:75O4000 0.0 83.1 1.0 C14 B:75O4000 1.7 83.2 1.0 C13 B:75O4000 2.7 83.5 1.0 C9 B:75O4000 2.7 85.1 1.0 C6 B:75O4000 3.1 84.9 1.0 C5 B:75O4000 3.2 83.4 1.0 CG1 B:VAL81 3.6 0.5 1.0 CD1 B:ILE115 3.6 0.6 1.0 CZ A:PHE90 3.8 86.8 1.0 C12 B:75O4000 4.0 85.5 1.0 C10 B:75O4000 4.0 86.8 1.0 CE2 A:PHE90 4.0 86.7 1.0 CG1 B:ILE115 4.1 98.0 1.0 C7 B:75O4000 4.1 86.0 1.0 CG1 B:VAL113 4.1 98.5 1.0 C4 B:75O4000 4.2 83.0 1.0 CG2 B:VAL81 4.5 0.8 1.0 CB B:VAL113 4.5 98.3 1.0 C11 B:75O4000 4.5 87.2 1.0 CD1 A:LEU18 4.5 85.8 1.0 CG1 A:VAL11 4.6 99.9 1.0 O1 B:75O4000 4.6 88.3 1.0 CG2 B:VAL113 4.6 98.6 1.0 CB B:VAL81 4.7 1.0 1.0 N2 B:75O4000 4.9 84.0 1.0 C3 B:75O4000 4.9 81.9 1.0 CD1 A:ILE46 5.0 79.2 1.0

C.T.Salatto, R.A.Miller, K.O.Cameron, E.Cokorinos, A.Reyes, J.Ward, M.F.Calabrese, R.G.Kurumbail, F.Rajamohan, A.S.Kalgutkar, D.A.Tess, A.Shavnya, N.E.Genung, D.J.Edmonds, A.Jatkar, B.S.Maciejewski, M.Amaro, H.Gandhok, M.Monetti, K.Cialdea, E.Bollinger, J.M.Kreeger, T.M.Coskran, A.C.Opsahl, G.G.Boucher, M.J.Birnbaum, P.Dasilva-Jardine, T.Rolph. Selective Activation of Ampk Beta 1-Containing Isoforms Improves Kidney Function in A Rat Model of Diabetic Nephropathy. J. Pharmacol. Exp. Ther. V. 361 303 2017.
ISSN: ESSN 1521-0103
PubMed: 28289077
DOI: 10.1124/JPET.116.237925