Chlorine in PDB 8qws: Crystal Structure of COTB2 Variant V80L in Complex with Alendronate

The structure of Crystal Structure of COTB2 Variant V80L in Complex with Alendronate, PDB code: 8qws was solved by N.Dimos, S.Himpich, M.Ringel, R.Driller, D.T.Major, T.Brueck, B.Loll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.16 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.173, 98.514, 107.417, 90, 90, 90
R / Rfree (%)	17.2 / 20.5

The structure of Crystal Structure of COTB2 Variant V80L in Complex with Alendronate also contains other interesting chemical elements:

Magnesium

(Mg)

7 atoms

The binding sites of Chlorine atom in the Crystal Structure of COTB2 Variant V80L in Complex with Alendronate (pdb code 8qws). 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 Crystal Structure of COTB2 Variant V80L in Complex with Alendronate, PDB code: 8qws:

Chlorine binding site 1 out of 1 in the Crystal Structure of COTB2 Variant V80L in Complex with Alendronate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of COTB2 Variant V80L in Complex with Alendronate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl406 b:75.2 occ:1.00 O A:HOH650 3.5 30.4 0.6 O B:HOH665 3.7 30.9 0.5 CG2 B:VAL141 4.7 29.9 1.0 CB B:GLU144 4.7 24.1 1.0 O B:GLU140 4.8 27.4 1.0 CB A:GLU144 4.8 22.9 1.0 CG A:GLU144 4.8 23.9 1.0 CA B:VAL141 4.8 26.7 1.0 CG B:GLU144 4.8 25.3 1.0 O B:HOH608 4.9 26.4 1.0 O A:GLU140 5.0 29.2 1.0 C B:GLU140 5.0 24.9 1.0

N.Dimos, S.Himpich, R.Driller, B.Loll. Crystal Structure of COTB2 Variant V80L in Complex with Alendronate To Be Published.