Chlorine in PDB 4ywb: Structure of Rat Cytosolic Pepck in Complex with 3-Mercaptopicolinic Acid and Oxalic Acid

All present enzymatic activity of Structure of Rat Cytosolic Pepck in Complex with 3-Mercaptopicolinic Acid and Oxalic Acid:
4.1.1.32;

The structure of Structure of Rat Cytosolic Pepck in Complex with 3-Mercaptopicolinic Acid and Oxalic Acid, PDB code: 4ywb was solved by M.D.Balan, T.A.Johnson, W.R.Lotosky, M.J.Mcleod, T.Holyoak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.21 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.124, 118.732, 86.393, 90.00, 107.27, 90.00
R / Rfree (%)	17.3 / 21

The structure of Structure of Rat Cytosolic Pepck in Complex with 3-Mercaptopicolinic Acid and Oxalic Acid also contains other interesting chemical elements:

Manganese	(Mn)	4 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Structure of Rat Cytosolic Pepck in Complex with 3-Mercaptopicolinic Acid and Oxalic Acid (pdb code 4ywb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Rat Cytosolic Pepck in Complex with 3-Mercaptopicolinic Acid and Oxalic Acid, PDB code: 4ywb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Rat Cytosolic Pepck in Complex with 3-Mercaptopicolinic Acid and Oxalic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Rat Cytosolic Pepck in Complex with 3-Mercaptopicolinic Acid and Oxalic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl706 b:26.9 occ:1.00 O A:HOH1063 3.1 26.9 1.0 N A:GLY237 3.3 16.5 1.0 O A:HOH1306 3.4 35.6 1.0 CE1 A:TYR235 3.6 20.0 1.0 CD1 A:TYR235 3.6 18.3 1.0 ND2 A:ASN403 3.7 22.2 1.0 NH2 A:ARG405 3.7 22.3 1.0 CA A:GLY236 3.9 18.6 1.0 N A:ARG87 4.0 23.1 1.0 CG A:ARG87 4.0 23.4 1.0 C A:GLY236 4.1 16.7 1.0 CE2 A:PHE333 4.2 17.8 1.0 CA A:GLY237 4.2 17.1 1.0 CZ A:ARG405 4.2 22.2 1.0 CA A:ALA86 4.4 20.1 1.0 NE A:ARG405 4.5 21.8 1.0 C A:ALA86 4.6 19.5 1.0 CG A:ASN403 4.6 24.0 1.0 OD1 A:ASN403 4.6 24.4 1.0 N A:GLY236 4.7 16.3 1.0 CB A:ARG87 4.8 22.6 1.0 O3 A:OXD704 4.8 24.9 1.0 CA A:ARG87 4.8 22.0 1.0 CD A:ARG87 4.8 20.4 1.0 CZ A:PHE333 4.9 17.3 1.0 NE A:ARG87 4.9 20.7 1.0 O A:TYR235 4.9 16.6 1.0 NH1 A:ARG405 4.9 21.7 1.0 C A:TYR235 5.0 16.4 1.0 CG A:TYR235 5.0 18.4 1.0 CZ A:TYR235 5.0 21.7 1.0

Chlorine binding site 2 out of 2 in the Structure of Rat Cytosolic Pepck in Complex with 3-Mercaptopicolinic Acid and Oxalic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Rat Cytosolic Pepck in Complex with 3-Mercaptopicolinic Acid and Oxalic Acid within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl706 b:27.2 occ:1.00 O C:HOH997 3.1 25.4 1.0 O C:HOH1273 3.3 31.1 1.0 N C:GLY237 3.3 16.6 1.0 ND2 C:ASN403 3.6 21.2 1.0 CE1 C:TYR235 3.7 19.5 1.0 CD1 C:TYR235 3.7 17.7 1.0 NH2 C:ARG405 3.8 23.5 1.0 CA C:GLY236 3.9 15.3 1.0 N C:ARG87 3.9 20.2 1.0 CG C:ARG87 4.1 22.0 1.0 C C:GLY236 4.1 15.1 1.0 CA C:GLY237 4.2 15.4 1.0 CE2 C:PHE333 4.2 15.9 1.0 CZ C:ARG405 4.2 20.5 1.0 CA C:ALA86 4.4 18.5 1.0 C C:ALA86 4.5 19.1 1.0 NE C:ARG405 4.6 18.6 1.0 CG C:ASN403 4.6 20.7 1.0 N C:GLY236 4.7 16.1 1.0 O3 C:OXD704 4.7 25.9 1.0 CB C:ARG87 4.7 21.8 1.0 OD1 C:ASN403 4.8 21.3 1.0 CA C:ARG87 4.8 20.2 1.0 NE C:ARG87 4.8 21.9 1.0 CD C:ARG87 4.9 19.9 1.0 NH1 C:ARG405 4.9 20.6 1.0 CZ C:PHE333 4.9 17.1 1.0 O C:TYR235 5.0 18.0 1.0 CG C:TYR235 5.0 18.3 1.0

M.D.Balan, M.J.Mcleod, W.R.Lotosky, M.Ghaly, T.Holyoak. Inhibition and Allosteric Regulation of Monomeric Phosphoenolpyruvate Carboxykinase By 3-Mercaptopicolinic Acid. Biochemistry V. 54 5878 2015.
ISSN: ISSN 0006-2960
PubMed: 26322521
DOI: 10.1021/ACS.BIOCHEM.5B00822