Sodium 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
Chlorine	(Cl)	2 atoms

The binding sites of Sodium 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 Sodium atom.
In total 2 binding sites of Sodium where determined in the Structure of 4-Hydroxybenzoyl-Coa Reductase From Thauera Aromatica, PDB code: 1rm6:
Jump to Sodium binding site number: 1; 2;

Sodium 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 Sodium with other atoms in the Na 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:Na771 b:18.8 occ:1.00 O A:VAL68 2.7 16.6 1.0 O A:GLU63 2.8 19.9 1.0 O A:LEU65 2.9 19.9 1.0 O A:HOH9204 3.0 40.4 1.0 O A:HOH9085 3.2 33.3 1.0 O A:HOH7608 3.2 46.5 1.0 C A:VAL68 3.8 17.4 1.0 C A:LEU65 3.9 22.9 1.0 C A:GLU63 4.0 21.1 1.0 N A:VAL68 4.0 13.3 1.0 C A:ALA64 4.2 23.9 1.0 CB A:VAL68 4.2 12.7 1.0 CA A:VAL68 4.3 14.3 1.0 O A:ALA64 4.3 25.7 1.0 N A:LEU65 4.4 18.9 1.0 N A:GLY67 4.5 19.6 1.0 CA A:GLU66 4.6 24.8 1.0 CA A:ALA64 4.6 20.6 1.0 N A:GLU66 4.6 20.2 1.0 CA A:LEU65 4.7 19.0 1.0 N A:ALA64 4.7 19.0 1.0 C A:GLU66 4.9 18.2 1.0 N A:ILE69 4.9 11.2 1.0 CG1 A:VAL68 4.9 14.2 1.0 CA A:GLU63 5.0 16.7 1.0 OE2 A:GLU66 5.0 55.5 1.0

Sodium 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 Sodium with other atoms in the Na 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:Na772 b:18.8 occ:1.00 O D:VAL68 2.7 15.0 1.0 O D:GLU63 2.8 24.0 1.0 O D:HOH9384 2.8 40.9 1.0 O D:LEU65 2.9 20.6 1.0 O D:HOH9079 3.1 31.9 1.0 O D:HOH9012 3.8 35.2 1.0 C D:LEU65 3.8 24.9 1.0 C D:VAL68 3.8 15.9 1.0 C D:GLU63 3.9 20.0 1.0 N D:VAL68 4.1 13.4 1.0 C D:ALA64 4.2 24.2 1.0 O D:ALA64 4.3 26.1 1.0 N D:LEU65 4.3 20.5 1.0 CB D:VAL68 4.4 13.5 1.0 CA D:VAL68 4.4 13.4 1.0 CA D:GLU66 4.5 22.0 1.0 CA D:ALA64 4.5 25.1 1.0 N D:GLU66 4.5 21.4 1.0 N D:GLY67 4.5 20.2 1.0 N D:ALA64 4.7 22.6 1.0 CA D:LEU65 4.7 21.2 1.0 C D:GLU66 4.8 19.6 1.0 CA D:GLU63 4.9 19.9 1.0 N D:ILE69 5.0 11.3 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