Chlorine in PDB 3olw: Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex

The structure of Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex, PDB code: 3olw was solved by R.M.Immormino, R.B.Bourret, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.93 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.033, 53.731, 161.804, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 22.2

The structure of Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex also contains other interesting chemical elements:

Fluorine	(F)	6 atoms
Manganese	(Mn)	4 atoms

The binding sites of Chlorine atom in the Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex (pdb code 3olw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex, PDB code: 3olw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl137 b:60.0 occ:1.00 NZ A:LYS119 2.9 50.1 1.0 O2 B:GOL134 2.9 53.5 1.0 O B:HOH171 3.1 44.2 1.0 O A:HOH176 3.2 44.1 1.0 NZ B:LYS92 3.4 37.2 1.0 CB B:GLU93 3.4 53.2 1.0 CE A:LYS119 3.5 57.6 1.0 CA B:GLU93 3.6 47.5 1.0 N B:GLU93 3.9 45.5 1.0 CD A:LYS119 4.1 50.5 1.0 C2 B:GOL134 4.3 72.4 1.0 CE A:LYS122 4.5 55.1 1.0 CD1 B:ILE96 4.5 46.7 1.0 CG B:GLU93 4.5 67.0 1.0 CD A:LYS122 4.6 45.1 1.0 CG B:LYS92 4.6 46.2 1.0 C B:LYS92 4.6 45.3 1.0 CE B:LYS92 4.6 39.4 1.0 O1 B:GOL134 4.7 59.0 1.0 O A:TYR106 4.8 36.2 1.0 CB B:LYS92 4.8 48.9 1.0 O A:HOH160 4.9 40.0 1.0 OE1 B:GLU93 4.9 80.9 1.0 C1 B:GOL134 5.0 71.2 1.0

Chlorine binding site 2 out of 2 in the Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl138 b:63.2 occ:1.00 C1 B:GOL134 3.3 71.2 1.0 NZ A:LYS92 3.4 59.4 1.0 N B:LYS92 3.5 54.5 1.0 CB B:LYS92 4.0 48.9 1.0 O1 B:GOL134 4.0 59.0 1.0 CA B:LYS91 4.1 51.8 1.0 CG B:LYS91 4.3 57.3 1.0 C B:LYS91 4.3 50.9 1.0 CA B:LYS92 4.4 51.2 1.0 C2 B:GOL134 4.6 72.4 1.0 CB B:LYS91 4.6 52.4 1.0 O B:ALA90 4.7 49.6 1.0 CE A:LYS92 4.9 51.8 1.0

R.M.Immormino, R.E.Silversmith, R.B.Bourret. A Variable Active Site Residue Influences the Kinetics of Response Regulator Phosphorylation and Dephosphorylation. Biochemistry V. 55 5595 2016.
ISSN: ISSN 0006-2960
PubMed: 27589219
DOI: 10.1021/ACS.BIOCHEM.6B00645