Chlorine in PDB 4i3z: Structure of PCDK2/Cyclina Bound to Adp and 2 Magnesium Ions

All present enzymatic activity of Structure of PCDK2/Cyclina Bound to Adp and 2 Magnesium Ions:
2.7.11.22;

The structure of Structure of PCDK2/Cyclina Bound to Adp and 2 Magnesium Ions, PDB code: 4i3z was solved by D.M.Jacobsen, Z.-Q.Bao, P.J.O'brien, C.L.Brooks, M.A.Young, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.79 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	70.770, 164.130, 73.280, 90.00, 107.07, 90.00
R / Rfree (%)	19.7 / 22.8

The structure of Structure of PCDK2/Cyclina Bound to Adp and 2 Magnesium Ions also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the Structure of PCDK2/Cyclina Bound to Adp and 2 Magnesium Ions (pdb code 4i3z). 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 PCDK2/Cyclina Bound to Adp and 2 Magnesium Ions, PDB code: 4i3z:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of PCDK2/Cyclina Bound to Adp and 2 Magnesium Ions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of PCDK2/Cyclina Bound to Adp and 2 Magnesium Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:41.6 occ:1.00 NE2 A:GLN131 2.9 65.6 1.0 O A:HOH477 3.2 31.2 1.0 N A:GLN131 3.2 20.6 1.0 CB A:GLN131 3.3 33.9 1.0 CD A:GLN131 3.6 59.4 1.0 CG A:GLN131 3.6 41.0 1.0 CD A:PRO130 3.8 26.4 1.0 CA A:GLN131 3.9 29.4 1.0 N A:PRO130 3.9 27.3 1.0 CG A:LYS129 3.9 25.6 1.0 CD A:LYS129 4.0 31.9 1.0 CB A:LYS129 4.1 24.4 1.0 CB A:PRO130 4.2 21.7 1.0 C A:PRO130 4.2 19.7 1.0 CA A:PRO130 4.3 19.9 1.0 CG A:PRO130 4.4 23.4 1.0 C A:LYS129 4.4 28.1 1.0 CE A:LYS88 4.4 76.0 1.0 CG A:LYS88 4.4 43.1 1.0 CB A:LYS88 4.5 31.6 1.0 CD A:LYS88 4.5 64.3 1.0 OE1 A:GLN131 4.6 60.4 1.0 CE A:LYS129 4.6 32.8 1.0 OH A:TYR168 4.7 30.6 1.0 CE2 A:TYR168 4.8 22.6 1.0 NZ A:LYS88 4.8 81.5 1.0 CA A:LYS129 4.9 28.6 1.0 O A:LYS129 5.0 25.7 1.0

Chlorine binding site 2 out of 2 in the Structure of PCDK2/Cyclina Bound to Adp and 2 Magnesium Ions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of PCDK2/Cyclina Bound to Adp and 2 Magnesium Ions within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl305 b:46.8 occ:1.00 NE2 C:GLN131 3.1 66.0 1.0 N C:GLN131 3.1 23.1 1.0 CB C:GLN131 3.3 34.8 1.0 CD C:PRO130 3.7 28.2 1.0 CD C:GLN131 3.7 58.9 1.0 CG C:GLN131 3.7 41.4 1.0 N C:PRO130 3.8 27.5 1.0 CA C:GLN131 3.8 30.7 1.0 CG C:LYS129 3.9 27.1 1.0 CD C:LYS129 4.0 31.9 1.0 CB C:PRO130 4.0 24.4 1.0 CB C:LYS129 4.0 26.1 1.0 C C:PRO130 4.1 23.1 1.0 CA C:PRO130 4.2 20.5 1.0 CG C:PRO130 4.2 22.9 1.0 C C:LYS129 4.3 28.9 1.0 CB C:LYS88 4.4 31.2 1.0 CG C:LYS88 4.4 44.2 1.0 CE C:LYS88 4.5 75.7 1.0 CD C:LYS88 4.5 65.0 1.0 OH C:TYR168 4.7 34.3 1.0 CE C:LYS129 4.7 35.1 1.0 OE1 C:GLN131 4.7 58.5 1.0 CA C:LYS129 4.8 30.3 1.0 O C:LYS129 4.8 27.8 1.0 CE2 C:TYR168 4.8 26.5 1.0 NZ C:LYS88 4.9 81.3 1.0 C C:GLN131 5.0 33.4 1.0

D.M.Jacobsen, Z.-Q.Bao, P.J.O'brien, C.L.Brooks, M.A.Young. Price to Be Paid For Two-Metal Catalysis: Magnesium Ions That Accelerate Chemistry Unavoidably Limit Product Release From A Protein Kinase J.Am.Chem.Soc. V. 134 15357 2012.
ISSN: ISSN 0002-7863
PubMed: 22891849