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

The structure of X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima, PDB code: 3ciw 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)	38.36 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.974, 79.228, 85.941, 90.00, 90.00, 90.00
R / Rfree (%)	14.3 / 17.7

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

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima (pdb code 3ciw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima, PDB code: 3ciw:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl349 b:21.0 occ:0.30 CL A:CL349 0.0 21.0 0.3 CL A:CL349 1.3 21.1 0.7 O A:HOH2811 1.4 25.3 0.3 O A:HOH2812 2.2 31.9 1.0 OH A:TYR306 3.2 20.7 1.0 O A:HOH2811 3.4 15.3 0.3 O A:HOH2794 3.4 25.7 1.0 N A:THR269 3.4 13.4 1.0 N A:ALA270 3.5 11.9 1.0 O A:HOH2725 3.7 23.4 1.0 CB A:THR269 3.7 18.1 1.0 O A:HOH2724 3.9 27.0 1.0 CA A:THR269 3.9 15.2 1.0 O A:HOH2795 4.0 29.8 1.0 CB A:THR268 4.0 11.8 1.0 C A:THR269 4.1 13.3 1.0 CZ A:TYR306 4.1 18.1 1.0 CE2 A:TYR306 4.2 17.4 1.0 CB A:ALA270 4.3 12.1 1.0 NH2 A:ARG159 4.3 16.1 1.0 C A:THR268 4.3 11.8 1.0 OG1 A:THR269 4.3 20.2 1.0 CA A:ALA270 4.4 12.0 1.0 O A:HOH2488 4.5 19.9 1.0 CA A:THR268 4.6 10.8 1.0 OG1 A:THR268 4.7 11.3 1.0 O A:HOH2810 4.8 31.3 1.0 CG2 A:THR268 4.8 12.2 1.0 O A:HOH2761 4.9 20.0 1.0 O A:HOH2686 4.9 24.3 1.0 CG2 A:THR269 5.0 19.8 1.0

Chlorine binding site 2 out of 4 in the X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl349 b:21.1 occ:0.70 CL A:CL349 0.0 21.1 0.7 CL A:CL349 1.3 21.0 0.3 O A:HOH2811 2.1 15.3 0.3 O A:HOH2811 2.4 25.3 0.3 O A:HOH2812 3.0 31.9 1.0 O A:HOH2488 3.2 19.9 1.0 O A:HOH2794 3.2 25.7 1.0 NH2 A:ARG159 3.5 16.1 1.0 N A:ALA270 3.5 11.9 1.0 CB A:ALA270 3.6 12.1 1.0 CB A:THR268 3.6 11.8 1.0 OH A:TYR306 3.7 20.7 1.0 N A:THR269 4.0 13.4 1.0 CE2 A:TYR306 4.1 17.4 1.0 OG1 A:THR268 4.1 11.3 1.0 CA A:ALA270 4.1 12.0 1.0 NH1 A:ARG159 4.3 17.0 1.0 CG2 A:THR268 4.3 12.2 1.0 CZ A:TYR306 4.3 18.1 1.0 CZ A:ARG159 4.3 15.6 1.0 C A:THR269 4.5 13.3 1.0 C A:THR268 4.5 11.8 1.0 CA A:THR268 4.6 10.8 1.0 CA A:THR269 4.6 15.2 1.0 O A:HOH2725 4.7 23.4 1.0 CB A:THR269 4.8 18.1 1.0 O A:HOH2795 4.8 29.8 1.0 O A:HOH2724 5.0 27.0 1.0 O A:HOH2686 5.0 24.3 1.0

Chlorine binding site 3 out of 4 in the X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl350 b:12.5 occ:1.00 OG1 A:THR134 3.1 9.5 1.0 O A:HOH2498 3.2 15.2 1.0 NH1 A:ARG155 3.3 10.4 1.0 NE A:ARG54 3.5 11.7 1.0 CD A:ARG54 3.7 11.5 1.0 CD A:ARG155 3.8 10.9 1.0 SD A:MET224 3.8 13.9 0.6 CB A:THR134 3.9 8.9 1.0 CG2 A:THR134 3.9 9.3 1.0 CG2 A:THR103 3.9 9.8 1.0 CG A:ARG54 3.9 11.4 1.0 CZ A:ARG54 4.0 10.8 1.0 CZ A:ARG155 4.3 10.5 1.0 O A:HOH2723 4.3 28.6 1.0 NH2 A:ARG54 4.4 12.7 1.0 CB A:ARG54 4.4 10.8 1.0 NE A:ARG155 4.4 10.8 1.0 CG2 A:VAL105 4.4 10.3 1.0 CE A:MET224 4.5 10.8 0.4 CG A:ARG155 4.7 10.9 1.0 CB A:ARG155 4.8 9.7 1.0 NH1 A:ARG54 4.8 10.5 1.0 CD2 A:LEU157 4.8 14.4 1.0 CB A:THR103 4.9 9.7 1.0 CE A:MET291 4.9 15.5 0.4 OG1 A:THR103 4.9 9.8 1.0

Chlorine binding site 4 out of 4 in the X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl351 b:16.5 occ:0.50 O A:HOH2603 3.0 15.4 1.0 O A:HOH2810 3.2 31.3 1.0 NH2 A:ARG159 3.4 16.1 1.0 O A:HOH2672 3.4 18.3 1.0 CG A:PRO266 3.5 7.7 0.5 SD A:MET291 3.7 20.9 0.6 CE A:MET291 3.8 15.5 0.4 CA A:GLY226 3.8 10.0 1.0 CG A:PRO266 3.8 10.9 0.5 CG2 A:THR268 3.9 12.2 1.0 NE A:ARG159 4.1 14.3 1.0 O A:HOH2686 4.1 24.3 1.0 CZ A:ARG159 4.2 15.6 1.0 CB A:PRO266 4.3 8.0 0.5 CB A:PRO266 4.3 9.5 0.5 CE A:MET291 4.3 22.3 0.6 O A:HOH2812 4.5 31.9 1.0 O A:HOH2491 4.6 13.8 1.0 CD A:PRO266 4.7 9.6 0.5 CD A:PRO266 4.7 10.8 0.5 O A:HOH2723 4.7 28.6 1.0 C A:GLY226 4.8 10.1 1.0 SD A:MET291 4.8 16.3 0.4 CD1 A:LEU157 4.8 14.6 1.0 N A:GLY226 4.8 9.9 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