Chlorine in PDB 3cix: X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima in Complex with Thiocyanate

The structure of X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima in Complex with Thiocyanate, PDB code: 3cix was solved by Y.Nicolet, J.K.Ruback, M.C.Posewitz, P.Amara, C.Mathevon, M.Atta, M.Fontecave, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.87 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.927, 79.728, 86.077, 90.00, 90.00, 90.00
R / Rfree (%)	14.6 / 18.9

The structure of X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima in Complex with Thiocyanate also contains other interesting chemical elements:

Iron

(Fe)

6 atoms

The binding sites of Chlorine atom in the X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima in Complex with Thiocyanate (pdb code 3cix). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima in Complex with Thiocyanate, PDB code: 3cix:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima in Complex with Thiocyanate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima in Complex with Thiocyanate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1713 b:22.2 occ:0.50 CL A:CL1713 0.0 22.2 0.5 CL A:CL1713 1.2 18.1 0.5 O A:HOH2825 2.7 34.4 1.0 OH A:TYR306 2.9 22.1 1.0 O A:HOH2802 3.2 28.6 1.0 N A:ALA270 3.2 13.3 1.0 N A:THR269 3.5 14.3 1.0 CB A:ALA270 3.8 11.4 1.0 CZ A:TYR306 3.8 20.0 1.0 CB A:THR269 3.9 17.0 1.0 CE2 A:TYR306 3.9 18.7 1.0 C A:THR269 3.9 14.6 1.0 CA A:THR269 3.9 15.4 1.0 CB A:THR268 4.0 12.4 1.0 CA A:ALA270 4.0 13.2 1.0 NH2 A:ARG159 4.0 21.3 1.0 O A:HOH2489 4.1 21.7 1.0 O A:HOH2800 4.2 28.9 1.0 C A:THR268 4.3 12.7 1.0 O A:HOH2720 4.4 26.4 1.0 OG1 A:THR268 4.5 12.8 1.0 CA A:THR268 4.6 12.1 1.0 OG1 A:THR269 4.6 20.0 1.0 O A:HOH2801 4.8 32.4 1.0 CG2 A:THR268 4.9 11.9 1.0 CG2 A:THR269 4.9 19.6 1.0

Chlorine binding site 2 out of 3 in the X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima in Complex with Thiocyanate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima in Complex with Thiocyanate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1713 b:18.1 occ:0.50 CL A:CL1713 0.0 18.1 0.5 CL A:CL1713 1.2 22.2 0.5 NH2 A:ARG159 3.1 21.3 1.0 O A:HOH2802 3.1 28.6 1.0 O A:HOH2489 3.1 21.7 1.0 O A:HOH2825 3.1 34.4 1.0 CB A:ALA270 3.5 11.4 1.0 CB A:THR268 3.6 12.4 1.0 N A:ALA270 3.6 13.3 1.0 OH A:TYR306 3.8 22.1 1.0 CZ A:ARG159 4.0 22.6 1.0 OG1 A:THR268 4.0 12.8 1.0 NH1 A:ARG159 4.1 24.9 1.0 N A:THR269 4.1 14.3 1.0 CA A:ALA270 4.2 13.2 1.0 CE2 A:TYR306 4.3 18.7 1.0 CG2 A:THR268 4.3 11.9 1.0 CZ A:TYR306 4.5 20.0 1.0 C A:THR268 4.6 12.7 1.0 CA A:THR268 4.6 12.1 1.0 C A:THR269 4.6 14.6 1.0 O A:HOH2801 4.6 32.4 1.0 CA A:THR269 4.8 15.4 1.0 O A:HOH2800 4.8 28.9 1.0 CB A:THR269 4.9 17.0 1.0 N3 A:SAH1501 5.0 14.5 1.0

Chlorine binding site 3 out of 3 in the X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima in Complex with Thiocyanate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima in Complex with Thiocyanate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1714 b:27.1 occ:0.50 O A:HOH2604 2.8 25.1 1.0 O A:HOH2826 3.0 38.0 1.0 NH2 A:ARG159 3.2 21.3 1.0 O A:HOH2613 3.5 55.1 1.0 O A:HOH2801 3.8 32.4 1.0 NE A:ARG159 3.8 21.4 1.0 CG2 A:THR268 3.8 11.9 1.0 CA A:GLY226 3.9 12.4 1.0 CG A:PRO266 3.9 12.2 1.0 CZ A:ARG159 4.0 22.6 1.0 O A:HOH2825 4.1 34.4 1.0 CE A:MET291 4.2 15.8 0.6 CB A:PRO266 4.4 11.6 1.0 CE A:MET291 4.6 12.6 0.4 C A:GLY226 4.7 12.6 1.0 O A:HOH2560 4.8 17.6 1.0 N A:GLY226 4.9 12.5 1.0 SD A:MET291 4.9 17.7 0.6 CD2 A:LEU157 4.9 20.5 1.0 CB A:THR268 4.9 12.4 1.0 CD1 A:LEU157 4.9 16.7 1.0 CD A:PRO266 4.9 10.2 1.0 O A:HOH2800 5.0 28.9 1.0

Y.Nicolet, J.K.Rubach, M.C.Posewitz, P.Amara, C.Mathevon, M.Atta, M.Fontecave, J.C.Fontecilla-Camps. X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima J.Biol.Chem. V. 283 18861 2008.
ISSN: ISSN 0021-9258
PubMed: 18400755
DOI: 10.1074/JBC.M801161200