Chlorine in PDB 1rm6: Structure of 4-Hydroxybenzoyl-Coa Reductase From Thauera Aromatica

All present enzymatic activity of Structure of 4-Hydroxybenzoyl-Coa Reductase From Thauera Aromatica:
1.3.99.20;

The structure of Structure of 4-Hydroxybenzoyl-Coa Reductase From Thauera Aromatica, PDB code: 1rm6 was solved by M.Unciuleac, E.Warkentin, C.C.Page, P.L.Dutton, M.Boll, U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.91 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	113.015, 151.845, 174.866, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 17.3

The structure of Structure of 4-Hydroxybenzoyl-Coa Reductase From Thauera Aromatica also contains other interesting chemical elements:

Molybdenum	(Mo)	2 atoms
Potassium	(K)	1 atom
Iron	(Fe)	24 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Structure of 4-Hydroxybenzoyl-Coa Reductase From Thauera Aromatica (pdb code 1rm6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of 4-Hydroxybenzoyl-Coa Reductase From Thauera Aromatica, PDB code: 1rm6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of 4-Hydroxybenzoyl-Coa Reductase From Thauera Aromatica


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of 4-Hydroxybenzoyl-Coa Reductase From Thauera Aromatica within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl770 b:15.4 occ:0.70 O A:HOH6376 3.3 19.2 1.0 N A:VAL363 3.4 10.3 1.0 CA A:GLY361 3.5 12.8 1.0 C A:GLY361 3.5 14.2 1.0 CD A:ARG285 3.5 10.2 1.0 N A:GLY361 3.6 13.7 1.0 CG A:ARG285 3.6 11.9 1.0 N A:ASP364 3.6 11.1 1.0 NH1 A:ARG285 3.6 11.3 1.0 O A:HOH6341 3.6 15.3 1.0 CB A:VAL363 3.7 11.9 1.0 N A:THR362 3.7 12.3 1.0 CA A:VAL363 3.9 11.5 1.0 O A:GLY361 3.9 14.7 1.0 CG A:ASP364 4.0 16.9 1.0 OD2 A:ASP364 4.2 14.0 1.0 OD1 A:ASP364 4.2 13.4 1.0 C A:VAL363 4.3 14.7 1.0 C A:THR362 4.3 11.4 1.0 CB A:ASP364 4.3 12.9 1.0 NE A:ARG285 4.3 12.0 1.0 CZ A:ARG285 4.4 11.5 1.0 CG2 A:VAL363 4.4 12.0 1.0 CA A:THR362 4.5 10.6 1.0 CA A:ASP364 4.6 12.8 1.0 C A:HIS360 4.7 16.1 1.0 O A:HOH6484 4.8 17.0 1.0 O A:GLY359 4.8 15.0 1.0 CG1 A:VAL363 4.8 13.0 1.0

Chlorine binding site 2 out of 2 in the Structure of 4-Hydroxybenzoyl-Coa Reductase From Thauera Aromatica


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of 4-Hydroxybenzoyl-Coa Reductase From Thauera Aromatica within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl770 b:14.7 occ:0.70 O D:HOH6561 3.1 18.4 1.0 N D:VAL363 3.4 9.2 1.0 CA D:GLY361 3.4 12.0 1.0 C D:GLY361 3.5 10.5 1.0 CD D:ARG285 3.5 10.8 1.0 CG D:ARG285 3.5 12.4 1.0 N D:GLY361 3.6 11.1 1.0 N D:ASP364 3.6 12.4 1.0 O D:HOH6124 3.6 14.1 1.0 NH1 D:ARG285 3.7 9.3 1.0 CB D:VAL363 3.7 12.0 1.0 N D:THR362 3.7 12.5 1.0 O D:GLY361 3.9 12.6 1.0 CA D:VAL363 3.9 10.3 1.0 CG D:ASP364 4.0 11.8 1.0 OD2 D:ASP364 4.1 11.1 1.0 OD1 D:ASP364 4.2 12.5 1.0 C D:THR362 4.3 12.0 1.0 C D:VAL363 4.3 12.8 1.0 CB D:ASP364 4.3 12.0 1.0 NE D:ARG285 4.4 11.8 1.0 CG2 D:VAL363 4.4 12.0 1.0 CZ D:ARG285 4.4 9.8 1.0 CA D:THR362 4.5 11.2 1.0 CA D:ASP364 4.6 12.6 1.0 C D:HIS360 4.7 15.3 1.0 O D:HOH6210 4.7 14.6 1.0 O D:GLY359 4.8 14.1 1.0 CG1 D:VAL363 4.8 12.8 1.0

M.Unciuleac, E.Warkentin, C.C.Page, M.Boll, U.Ermler. Structure of A Xanthine Oxidase-Related 4-Hydroxybenzoyl-Coa Reductase with An Additional [4FE-4S] Cluster and An Inverted Electron Flow Structure V. 12 2249 2004.
ISSN: ISSN 0969-2126
PubMed: 15576037
DOI: 10.1016/J.STR.2004.10.008