Chlorine in PDB 3eee: Probing the Function of Heme Distortion in the H-Nox Family

The structure of Probing the Function of Heme Distortion in the H-Nox Family, PDB code: 3eee was solved by C.Olea Jr, E.M.Boon, P.Pellicena, J.Kuriyan, M.A.Marletta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.67 / 2.12
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.253, 124.686, 83.555, 90.00, 126.58, 90.00
R / Rfree (%)	20.5 / 25.2

The structure of Probing the Function of Heme Distortion in the H-Nox Family also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the Probing the Function of Heme Distortion in the H-Nox Family (pdb code 3eee). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Probing the Function of Heme Distortion in the H-Nox Family, PDB code: 3eee:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Probing the Function of Heme Distortion in the H-Nox Family


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Probing the Function of Heme Distortion in the H-Nox Family within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl495 b:59.7 occ:1.00 CA B:GLY164 3.6 49.9 1.0 CG B:ARG163 3.8 46.5 1.0 N B:GLY164 3.9 52.0 1.0 CD B:ARG163 3.9 46.1 1.0 C B:GLY164 4.0 48.4 1.0 C B:ARG163 4.1 53.2 1.0 O B:ARG163 4.2 52.0 1.0 N B:GLU165 4.2 48.9 1.0 CG B:GLU165 4.4 65.9 1.0 CB B:ARG163 4.6 45.4 1.0 OE1 B:GLU165 4.6 86.4 1.0 O B:GLY164 4.6 51.1 1.0 CB B:GLU165 4.9 62.8 1.0

Chlorine binding site 2 out of 2 in the Probing the Function of Heme Distortion in the H-Nox Family


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Probing the Function of Heme Distortion in the H-Nox Family within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl496 b:68.5 occ:1.00 CA A:GLY164 3.6 49.3 1.0 CA C:GLY164 3.7 51.1 1.0 CG C:ARG163 3.8 63.1 1.0 N A:GLY164 3.8 49.9 1.0 CG A:ARG163 3.8 52.7 1.0 C C:GLY164 3.9 56.2 1.0 CD C:ARG163 4.0 70.0 1.0 N C:GLY164 4.0 52.7 1.0 O C:ARG163 4.0 50.4 1.0 C A:ARG163 4.1 56.1 1.0 CD A:ARG163 4.1 57.0 1.0 O A:ARG163 4.1 56.7 1.0 C C:ARG163 4.1 51.5 1.0 N C:GLU165 4.1 52.5 1.0 C A:GLY164 4.3 49.8 1.0 O C:GLY164 4.4 59.6 1.0 CG C:GLU165 4.4 75.1 1.0 N A:GLU165 4.5 54.5 1.0 CB C:ARG163 4.5 55.3 1.0 CB C:GLU165 4.6 71.8 1.0 CB A:ARG163 4.6 49.9 1.0 OH A:TYR138 4.7 50.2 1.0 CE1 A:TYR138 4.9 49.9 1.0 OE1 C:GLU165 5.0 88.3 1.0 CA C:GLU165 5.0 60.9 1.0 CA C:ARG163 5.0 51.8 1.0

C.Olea, E.M.Boon, P.Pellicena, J.Kuriyan, M.A.Marletta. Probing the Function of Heme Distortion in the H-Nox Family. Acs Chem.Biol. V. 3 703 2008.
ISSN: ISSN 1554-8929
PubMed: 19032091
DOI: 10.1021/CB800185H