Chlorine in PDB 7o1p: [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (C-Ter Stretch Absent)

The structure of [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (C-Ter Stretch Absent), PDB code: 7o1p was solved by R.Rohac, L.Martin, L.Liu, D.Basu, L.Tao, R.D.Britt, T.Rauchfuss, Y.Nicolet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.58
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.45, 79.16, 85.76, 90, 90, 90
R / Rfree (%)	17.9 / 24

The structure of [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (C-Ter Stretch Absent) also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (C-Ter Stretch Absent) (pdb code 7o1p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (C-Ter Stretch Absent), PDB code: 7o1p:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (C-Ter Stretch Absent)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (C-Ter Stretch Absent) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl409 b:53.4 occ:0.50 CL A:CL409 0.0 53.4 0.5 CL A:CL409 0.7 52.4 0.5 OH A:TYR306 3.2 68.9 1.0 N A:THR269 3.6 53.6 1.0 CB A:THR269 3.8 42.5 1.0 N A:ALA270 3.8 47.2 1.0 CB A:THR268 4.1 48.6 1.0 CE2 A:TYR306 4.1 90.8 1.0 CZ A:TYR306 4.1 63.5 1.0 CA A:THR269 4.1 56.0 1.0 OG1 A:THR269 4.2 83.6 1.0 NH2 A:ARG159 4.3 62.7 1.0 C A:THR269 4.4 61.1 1.0 C A:THR268 4.5 51.7 1.0 CA A:THR268 4.6 45.7 1.0 CB A:ALA270 4.6 41.3 1.0 CA A:ALA270 4.8 43.4 1.0 CG2 A:THR268 4.8 36.6 1.0 OG1 A:THR268 4.9 67.5 1.0

Chlorine binding site 2 out of 4 in the [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (C-Ter Stretch Absent)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (C-Ter Stretch Absent) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl409 b:52.4 occ:0.50 CL A:CL409 0.0 52.4 0.5 CL A:CL409 0.7 53.4 0.5 CB A:THR268 3.6 48.6 1.0 NH2 A:ARG159 3.6 62.7 1.0 N A:THR269 3.7 53.6 1.0 OH A:TYR306 3.7 68.9 1.0 N A:ALA270 4.0 47.2 1.0 CG2 A:THR268 4.2 36.6 1.0 CA A:THR268 4.3 45.7 1.0 CB A:THR269 4.3 42.5 1.0 C A:THR268 4.4 51.7 1.0 OG1 A:THR268 4.4 67.5 1.0 CE2 A:TYR306 4.4 90.8 1.0 CA A:THR269 4.4 56.0 1.0 CB A:ALA270 4.5 41.3 1.0 CZ A:TYR306 4.6 63.5 1.0 CZ A:ARG159 4.6 51.5 1.0 OG1 A:THR269 4.7 83.6 1.0 C A:THR269 4.7 61.1 1.0 NH1 A:ARG159 4.8 76.4 1.0 CA A:ALA270 4.9 43.4 1.0

Chlorine binding site 3 out of 4 in the [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (C-Ter Stretch Absent)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (C-Ter Stretch Absent) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl410 b:71.8 occ:1.00 OG1 A:THR134 3.3 51.6 1.0 SD A:MET224 3.4 88.3 0.6 CD A:ARG54 3.4 46.3 1.0 NH2 A:ARG54 3.4 50.4 1.0 CG2 A:THR134 3.8 41.5 1.0 CD A:ARG155 3.9 47.9 1.0 CB A:THR134 4.0 51.7 1.0 NH1 A:ARG155 4.1 73.8 1.0 NE A:ARG54 4.1 73.5 1.0 CZ A:ARG54 4.2 91.1 1.0 CE A:MET224 4.2 67.4 0.4 CG2 A:THR103 4.2 40.2 1.0 CE A:MET291 4.3 60.8 0.4 CG2 A:VAL105 4.3 37.4 1.0 CE A:MET224 4.5 56.7 0.6 CG A:ARG54 4.6 64.9 1.0 NE A:ARG155 4.7 50.2 1.0 CB A:ARG54 4.7 54.9 1.0 CD2 A:LEU157 4.7 43.9 1.0 CG A:MET224 4.7 56.7 0.4 CZ A:ARG155 4.7 62.8 1.0 CB A:ARG155 4.8 59.0 1.0 CG A:MET224 4.9 69.3 0.6 CD1 A:LEU157 4.9 38.5 1.0 SD A:MET224 4.9 57.9 0.4 CG A:ARG155 4.9 63.0 1.0

Chlorine binding site 4 out of 4 in the [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (C-Ter Stretch Absent)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (C-Ter Stretch Absent) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl411 b:62.3 occ:1.00 ND1 A:HIS52 3.3 69.7 1.0 NH1 A:ARG54 3.4 54.0 1.0 OG1 A:THR103 3.5 64.3 1.0 NE A:ARG54 3.5 73.5 1.0 CZ A:ARG54 3.9 91.1 1.0 CE1 A:HIS52 4.2 128.2 1.0 CG A:HIS52 4.3 70.9 1.0 CB A:HIS52 4.4 47.7 1.0 CB A:LYS102 4.6 55.1 1.0 CB A:THR103 4.7 45.4 1.0 CD A:ARG54 4.7 46.3 1.0 CG A:ARG54 4.8 64.9 1.0 NH2 A:ARG155 4.8 50.2 1.0 C A:LYS102 4.9 50.8 1.0 N A:THR103 5.0 52.9 1.0 O A:LYS102 5.0 69.5 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* Journal of Biological V. 283 18861 2008CHEMISTRY.
DOI: 10.1074/JBC.M801161200