Chlorine in PDB 7o9c: Dini-Sulerythrin Treated By Hydrogen Perxoide

The structure of Dini-Sulerythrin Treated By Hydrogen Perxoide, PDB code: 7o9c was solved by J.-H.Jeoung, H.Dobbek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.30 / 1.60
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	72.991, 72.991, 99.199, 90, 90, 120
R / Rfree (%)	14.8 / 18.1

The structure of Dini-Sulerythrin Treated By Hydrogen Perxoide also contains other interesting chemical elements:

Nickel

(Ni)

5 atoms

The binding sites of Chlorine atom in the Dini-Sulerythrin Treated By Hydrogen Perxoide (pdb code 7o9c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Dini-Sulerythrin Treated By Hydrogen Perxoide, PDB code: 7o9c:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Dini-Sulerythrin Treated By Hydrogen Perxoide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dini-Sulerythrin Treated By Hydrogen Perxoide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:42.3 occ:1.00 H A:GLU41 2.3 26.5 1.0 HB2 A:GLU41 2.4 27.1 1.0 HA A:TYR39 2.7 26.1 1.0 H A:ILE42 3.0 25.2 1.0 N A:GLU41 3.0 22.0 1.0 O A:HOH336 3.1 26.9 1.0 HD1 A:TYR39 3.2 27.7 1.0 HD2 A:PRO40 3.2 27.3 1.0 HB3 A:TYR39 3.3 26.3 1.0 CB A:GLU41 3.3 22.6 1.0 C A:TYR39 3.3 21.2 1.0 CA A:TYR39 3.3 21.8 1.0 HG13 A:ILE42 3.4 29.4 1.0 N A:PRO40 3.5 20.5 1.0 HG3 A:GLU41 3.5 35.5 1.0 CA A:GLU41 3.6 24.3 1.0 HG2 A:PRO40 3.7 25.8 1.0 CB A:TYR39 3.7 21.9 1.0 N A:ILE42 3.7 21.0 1.0 CD A:PRO40 3.8 22.8 1.0 CG A:GLU41 3.8 29.6 1.0 O A:TYR39 3.8 20.3 1.0 CD1 A:TYR39 4.0 23.1 1.0 HB3 A:GLU41 4.0 27.1 1.0 CD A:GLU41 4.0 42.0 1.0 C A:PRO40 4.0 19.8 1.0 OE1 A:GLU41 4.1 40.8 1.0 C A:GLU41 4.2 20.2 1.0 CG A:PRO40 4.2 21.5 1.0 CA A:PRO40 4.3 19.9 1.0 CG1 A:ILE42 4.3 24.5 1.0 CG A:TYR39 4.4 22.1 1.0 HB A:ILE42 4.5 30.8 1.0 HA A:GLU41 4.5 29.1 1.0 HB2 A:TYR39 4.6 26.3 1.0 N A:TYR39 4.6 21.3 1.0 O A:GLY38 4.6 23.5 1.0 HD3 A:PRO40 4.6 27.3 1.0 HG2 A:GLU41 4.7 35.5 1.0 HD11 A:ILE42 4.7 26.2 1.0 HD12 A:ILE42 4.7 26.2 1.0 OE2 A:GLU41 4.8 35.0 1.0 CB A:ILE42 4.8 25.6 1.0 CD1 A:ILE42 4.9 21.9 1.0 CA A:ILE42 4.9 19.6 1.0 HG12 A:ILE42 4.9 29.4 1.0 CB A:PRO40 5.0 20.4 1.0 HG3 A:PRO40 5.0 25.8 1.0

Chlorine binding site 2 out of 2 in the Dini-Sulerythrin Treated By Hydrogen Perxoide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dini-Sulerythrin Treated By Hydrogen Perxoide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl204 b:31.8 occ:1.00 H B:GLU41 2.4 18.1 1.0 O A:HOH440 2.6 28.6 1.0 HB2 B:GLU41 2.6 18.2 1.0 HA B:TYR39 2.7 16.3 1.0 H B:ILE42 2.8 15.8 1.0 HD1 B:TYR39 3.0 21.2 1.0 HB3 B:TYR39 3.0 16.6 1.0 N B:GLU41 3.1 15.1 1.0 O B:HOH373 3.1 20.5 1.0 HG13 B:ILE42 3.2 22.7 1.0 C B:TYR39 3.3 13.9 1.0 CA B:TYR39 3.3 13.5 1.0 HD2 B:PRO40 3.3 19.2 1.0 CB B:GLU41 3.4 15.2 1.0 N B:ILE42 3.6 13.2 1.0 N B:PRO40 3.6 14.0 1.0 CB B:TYR39 3.6 13.8 1.0 CA B:GLU41 3.7 13.5 1.0 HG3 B:GLU41 3.7 23.7 1.0 O B:TYR39 3.7 14.6 1.0 CD1 B:TYR39 3.8 17.6 1.0 CD B:PRO40 3.9 16.0 1.0 CG B:GLU41 4.0 19.8 1.0 CG1 B:ILE42 4.1 18.9 1.0 C B:GLU41 4.1 15.5 1.0 C B:PRO40 4.1 13.3 1.0 HB B:ILE42 4.2 17.6 1.0 HG2 B:PRO40 4.2 19.2 1.0 HB3 B:GLU41 4.2 18.2 1.0 CG B:TYR39 4.2 17.3 1.0 HD12 B:ILE42 4.2 23.2 1.0 OE1 B:GLU41 4.2 31.4 1.0 CD B:GLU41 4.3 31.7 1.0 O A:HOH323 4.4 41.4 1.0 HD11 B:ILE42 4.4 23.2 1.0 HB2 B:TYR39 4.4 16.6 1.0 CA B:PRO40 4.4 12.6 1.0 CD1 B:ILE42 4.5 19.3 1.0 CB B:ILE42 4.5 14.7 1.0 CG B:PRO40 4.6 16.0 1.0 HA B:GLU41 4.6 16.2 1.0 N B:TYR39 4.6 15.4 1.0 CA B:ILE42 4.7 14.8 1.0 HD3 B:PRO40 4.7 19.2 1.0 O B:GLY38 4.8 16.4 1.0 O A:HOH482 4.8 41.6 1.0 HG12 B:ILE42 4.8 22.7 1.0 O A:HOH333 4.8 45.3 1.0 HG2 B:GLU41 4.9 23.7 1.0 HE22 A:GLN139 5.0 63.9 1.0

J.H.Jeoung, S.Runger, M.Haumann, B.Neumann, F.Klemke, V.Davis, A.Fischer, H.Dau, U.Wollenberger, H.Dobbek. Bimetallic Mn, Fe, Co, and Ni Sites in A Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation. Inorg.Chem. 2021.
ISSN: ISSN 0020-1669
PubMed: 34757735
DOI: 10.1021/ACS.INORGCHEM.1C01919