Chlorine in PDB 5t8w: Cytochrome C - Calixarene Free

The structure of Cytochrome C - Calixarene Free, PDB code: 5t8w was solved by A.M.Doolan, M.L.Rennie, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.08 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.854, 55.436, 96.564, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 20.9

The structure of Cytochrome C - Calixarene Free also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Chlorine atom in the Cytochrome C - Calixarene Free (pdb code 5t8w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Cytochrome C - Calixarene Free, PDB code: 5t8w:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Cytochrome C - Calixarene Free


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cytochrome C - Calixarene Free within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:33.9 occ:1.00 OE2 B:GLU21 3.1 21.5 0.4 N B:VAL20 3.2 15.3 1.0 CG B:GLU21 3.3 30.9 0.4 N B:GLU21 3.3 20.6 1.0 CD B:GLU21 3.4 28.5 0.4 CB B:GLU21 3.6 18.1 0.4 CB B:GLU21 3.6 18.1 0.6 CB B:THR19 3.6 17.9 1.0 CG2 B:VAL20 3.7 16.3 1.0 CA B:THR19 3.9 16.9 1.0 C B:THR19 4.0 15.5 1.0 CA B:GLU21 4.1 20.4 0.4 CA B:GLU21 4.1 20.4 0.6 O B:HOH359 4.1 29.3 1.0 CA B:VAL20 4.1 15.2 1.0 C B:VAL20 4.2 16.1 1.0 CG2 B:THR19 4.3 18.6 1.0 OE1 B:GLU21 4.4 41.5 0.4 CB B:VAL20 4.5 16.4 1.0 OG1 B:THR19 4.7 16.9 1.0 OE1 B:GLU21 4.8 41.5 0.6 CG B:GLU21 4.9 30.9 0.6

Chlorine binding site 2 out of 2 in the Cytochrome C - Calixarene Free


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cytochrome C - Calixarene Free within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:38.9 occ:1.00 O B:HOH338 3.0 27.7 1.0 N B:LYS86 3.4 22.8 1.0 O B:GLY84 3.6 23.1 1.0 NZ B:LYS87 3.7 43.1 1.0 O B:HOH439 4.0 34.3 1.0 CA B:LEU85 4.0 22.1 1.0 NH1 B:ARG13 4.0 32.9 1.0 CG B:LYS86 4.1 29.9 0.6 CB B:LYS86 4.1 29.1 0.4 NH2 B:ARG13 4.1 27.4 1.0 CB B:LYS86 4.1 29.1 0.6 CG B:LYS86 4.1 29.9 0.4 C B:LEU85 4.2 22.4 1.0 CA B:LYS86 4.3 21.7 0.4 CA B:LYS86 4.3 21.7 0.6 CZ B:ARG13 4.6 26.1 1.0 C B:GLY84 4.6 23.7 1.0 CD2 B:LEU85 4.7 23.5 1.0 N B:LYS87 4.7 22.1 1.0 N B:LEU85 4.8 18.6 1.0 O B:HOH310 4.9 35.6 1.0 CG B:LYS87 5.0 30.5 1.0

A.M.Doolan, M.L.Rennie, P.B.Crowley. Protein Recognition By Functionalized Sulfonatocalix[4]Arenes. Chemistry V. 24 984 2018.
ISSN: ISSN 1521-3765
PubMed: 29125201
DOI: 10.1002/CHEM.201704931