Chlorine in PDB 2ohi: Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Reduced State

The structure of Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Reduced State, PDB code: 2ohi was solved by H.Seedorf, E.Warkentin, U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	97.798, 123.113, 135.864, 90.00, 103.40, 90.00
R / Rfree (%)	20.3 / 26.9

The structure of Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Reduced State also contains other interesting chemical elements:

Iron

(Fe)

16 atoms

The binding sites of Chlorine atom in the Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Reduced State (pdb code 2ohi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Reduced State, PDB code: 2ohi:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Reduced State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2504 b:41.2 occ:0.50 NE D:ARG340 3.5 42.0 1.0 NH2 D:ARG340 3.7 41.1 1.0 CE D:LYS337 3.8 45.1 1.0 CZ D:ARG340 4.1 42.2 1.0 ND2 D:ASN339 4.1 41.6 1.0 NZ D:LYS337 4.2 45.6 1.0 CG D:ARG340 4.4 42.3 1.0 CD D:ARG340 4.6 42.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Reduced State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl1504 b:47.7 occ:0.50 O H:GLU368 3.6 47.7 1.0 O H:ALA367 3.9 47.0 1.0 ND2 H:ASN339 4.0 41.9 1.0 CA H:GLY370 4.0 47.1 1.0 N H:GLY370 4.1 47.1 1.0 O H:HOH1740 4.1 45.2 1.0 C H:GLU368 4.2 47.3 1.0 CG H:ASN339 4.4 41.3 1.0 O H:HOH1710 4.5 38.4 1.0 OD1 H:ASN339 4.5 42.5 1.0 CA H:GLU368 4.7 47.9 1.0 C H:ALA369 4.7 46.7 1.0 C H:ALA367 5.0 46.5 1.0 N H:ALA369 5.0 47.0 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Reduced State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl3504 b:36.1 occ:0.50 NZ J:LYS337 3.1 45.2 1.0 NE J:ARG340 3.6 41.4 1.0 ND2 J:ASN339 3.6 38.3 1.0 NH2 J:ARG340 3.9 41.1 1.0 CE J:LYS337 4.1 44.8 1.0 CZ J:ARG340 4.2 41.9 1.0 CG J:ARG340 4.4 41.5 1.0 CD J:LYS337 4.4 42.7 1.0 CD J:ARG340 4.6 41.3 1.0 CG J:ASN339 4.8 39.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Reduced State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl3505 b:38.0 occ:0.50 O J:PRO179 3.2 42.2 1.0 NH1 J:ARG181 3.3 46.7 1.0 CG J:ARG181 3.5 39.7 1.0 CE H:MET282 3.6 43.2 1.0 CD J:ARG181 3.6 42.5 1.0 CZ3 J:TRP14 3.9 37.3 1.0 CH2 J:TRP14 4.2 37.1 1.0 C J:PRO179 4.2 41.8 1.0 CZ J:ARG181 4.3 45.8 1.0 NE J:ARG181 4.4 42.9 1.0 CE3 J:TRP14 4.4 37.7 1.0 CA J:PRO179 4.7 42.0 1.0 NH1 J:ARG63 4.9 38.3 1.0 CD1 J:LEU18 4.9 39.1 1.0 CD2 J:LEU18 4.9 37.7 1.0 CZ2 J:TRP14 5.0 36.5 1.0

H.Seedorf, C.H.Hagemeier, S.Shima, R.K.Thauer, E.Warkentin, U.Ermler. Structure of Coenzyme F420H2 Oxidase (Fpra), A Di-Iron Flavoprotein From Methanogenic Archaea Catalyzing the Reduction of O2 to H2O. Febs J. V. 274 1588 2007.
ISSN: ISSN 1742-464X
PubMed: 17480207
DOI: 10.1111/J.1742-4658.2007.05706.X