Chlorine in PDB 4pih: X-Ray Crystal Structure of the K33S Mutant of Ubiquitin

The structure of X-Ray Crystal Structure of the K33S Mutant of Ubiquitin, PDB code: 4pih was solved by P.J.Loll, P.J.Xu, J.Schmidt, S.L.Melideo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.25 / 1.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	27.350, 32.740, 40.340, 69.77, 72.55, 73.12
R / Rfree (%)	16.5 / 19

The structure of X-Ray Crystal Structure of the K33S Mutant of Ubiquitin also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Chlorine atom in the X-Ray Crystal Structure of the K33S Mutant of Ubiquitin (pdb code 4pih). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Crystal Structure of the K33S Mutant of Ubiquitin, PDB code: 4pih:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Crystal Structure of the K33S Mutant of Ubiquitin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of the K33S Mutant of Ubiquitin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl102 b:10.5 occ:1.00 O B:HOH255 3.0 7.5 1.0 OG A:SER65 3.2 8.7 1.0 N B:GLY47 3.3 7.0 1.0 CG2 B:ILE44 3.7 8.7 1.0 CE1 A:PHE45 3.7 9.6 1.0 CB A:SER65 3.8 8.0 1.0 CZ A:PHE45 3.9 10.0 1.0 CA B:GLY47 3.9 8.4 1.0 N B:ALA46 4.0 5.9 1.0 CA A:SER65 4.1 7.3 1.0 C B:ALA46 4.3 8.8 1.0 CD2 B:HIS68 4.3 11.4 1.0 CA B:ALA46 4.4 11.9 1.0 NE2 B:HIS68 4.5 11.0 1.0 CG B:HIS68 4.6 9.4 1.0 C B:PHE45 4.7 5.6 1.0 N A:THR66 4.7 6.5 1.0 CB B:ILE44 4.8 6.0 1.0 CE1 B:HIS68 4.8 15.2 1.0 ND1 B:HIS68 4.9 18.0 1.0 CD1 A:PHE45 4.9 6.7 1.0 CA B:PHE45 5.0 5.3 1.0

Chlorine binding site 2 out of 2 in the X-Ray Crystal Structure of the K33S Mutant of Ubiquitin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of the K33S Mutant of Ubiquitin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl103 b:6.1 occ:1.00 O B:HOH216 3.2 8.7 1.0 N B:LEU71 3.2 6.2 1.0 CB B:LEU71 3.8 7.3 1.0 CD1 B:LEU8 3.9 8.5 1.0 CA B:VAL70 3.9 6.1 1.0 CG B:LEU71 4.0 8.6 1.0 CA B:LEU71 4.0 6.8 1.0 C B:VAL70 4.0 6.3 1.0 CD2 B:LEU8 4.1 8.5 1.0 CB B:LEU8 4.1 8.4 1.0 CG B:LEU8 4.3 8.8 1.0 O B:LEU71 4.3 8.7 1.0 CD1 B:LEU71 4.3 15.4 1.0 O B:LEU69 4.4 7.9 1.0 CG1 B:VAL70 4.5 11.7 1.0 C B:LEU71 4.6 7.3 1.0 CB B:VAL70 4.8 7.6 1.0 N B:VAL70 4.9 5.3 1.0

P.J.Loll, P.Xu, J.T.Schmidt, S.L.Melideo. Enhancing Ubiquitin Crystallization Through Surface-Entropy Reduction. Acta Crystallogr.,Sect.F V. 70 1434 2014.
ISSN: ESSN 2053-230X
PubMed: 25286958
DOI: 10.1107/S2053230X14019244