Chlorine in PDB 5dfs: Crystal Structure of Spider Monkey Cytochrome C at 1.15 Angstrom

The structure of Crystal Structure of Spider Monkey Cytochrome C at 1.15 Angstrom, PDB code: 5dfs was solved by T.C.Mou, L.J.Mcclelland, M.E.Jeakins-Cooley, M.E.Goldes, S.R.Sprang, B.E.Bowler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.75 / 1.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	31.534, 42.733, 67.654, 90.00, 94.47, 90.00
R / Rfree (%)	16 / 18.3

The structure of Crystal Structure of Spider Monkey Cytochrome C at 1.15 Angstrom also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Spider Monkey Cytochrome C at 1.15 Angstrom (pdb code 5dfs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Spider Monkey Cytochrome C at 1.15 Angstrom, PDB code: 5dfs:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Spider Monkey Cytochrome C at 1.15 Angstrom


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 Spider Monkey Cytochrome C at 1.15 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:12.4 occ:0.68 H A:GLU61 2.3 13.2 1.0 HZ3 A:LYS99 2.4 48.0 1.0 HG3 A:GLU61 2.8 24.5 1.0 N A:GLU61 3.1 11.0 1.0 O A:HOH418 3.2 13.2 1.0 NZ A:LYS99 3.3 40.0 1.0 HB2 A:GLU61 3.3 16.3 1.0 HA3 A:GLY60 3.4 12.4 1.0 HZ2 A:LYS99 3.4 48.0 1.0 HD2 A:PHE36 3.5 15.2 1.0 CG A:GLU61 3.6 20.4 1.0 HA2 A:GLY60 3.6 12.4 1.0 HE2 A:LYS99 3.8 43.2 1.0 CB A:GLU61 3.8 13.6 1.0 CA A:GLY60 3.8 10.4 1.0 HZ1 A:LYS99 3.8 48.0 1.0 C A:GLY60 3.9 9.5 1.0 CE A:LYS99 4.0 36.0 1.0 CA A:GLU61 4.1 9.9 1.0 HE2 A:PHE36 4.1 13.8 1.0 HE3 A:LYS99 4.2 43.2 1.0 HG2 A:GLU61 4.3 24.5 1.0 O A:HOH305 4.3 26.1 1.0 CD2 A:PHE36 4.3 12.7 1.0 CD A:GLU61 4.4 30.3 1.0 H A:ASP62 4.5 12.2 1.0 HA A:GLU61 4.6 11.9 1.0 CE2 A:PHE36 4.6 11.5 1.0 HB3 A:GLU61 4.7 16.3 1.0 OE2 A:GLU61 4.8 24.1 1.0 OE1 A:GLU61 4.9 30.1 1.0 O A:HOH411 5.0 14.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Spider Monkey Cytochrome C at 1.15 Angstrom


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Spider Monkey Cytochrome C at 1.15 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:10.6 occ:0.85 H A:GLU50 2.4 11.4 1.0 O A:HOH395 3.1 11.4 1.0 O A:HOH422 3.1 28.5 1.0 HB2 A:GLU50 3.2 13.3 1.0 HA A:THR49 3.2 10.3 1.0 N A:GLU50 3.3 9.5 1.0 HB A:THR49 3.4 9.0 1.0 HG2 A:GLU50 3.4 14.6 1.0 CB A:GLU50 3.8 11.1 1.0 HG22 A:THR49 3.8 12.2 1.0 CG A:GLU50 3.9 12.2 1.0 HG3 A:GLU50 3.9 14.6 1.0 CA A:THR49 3.9 8.6 1.0 CB A:THR49 4.0 7.5 1.0 C A:THR49 4.1 9.5 1.0 CA A:GLU50 4.2 9.3 1.0 O A:HOH384 4.2 28.7 1.0 H A:ALA51 4.2 9.7 1.0 CG2 A:THR49 4.4 10.2 1.0 O A:HOH356 4.5 17.4 1.0 HE3 A:LYS79 4.7 16.6 0.6 HB3 A:GLU50 4.7 13.3 1.0 O A:HOH307 4.8 33.5 1.0 HA A:GLU50 4.8 11.2 1.0 HG21 A:THR49 4.9 12.2 1.0 N A:ALA51 4.9 8.1 1.0

M.E.Goldes, M.E.Jeakins-Cooley, L.J.Mcclelland, T.C.Mou, B.E.Bowler. Disruption of A Hydrogen Bond Network in Human Versus Spider Monkey Cytochrome C Affects Heme Crevice Stability. J.Inorg.Biochem. V. 158 62 2016.
ISSN: ISSN 0162-0134
PubMed: 26775610
DOI: 10.1016/J.JINORGBIO.2015.12.025