Molybdenum in PDB 1sb3: 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: 1sb3 was solved by M.Unciuleac, E.Warkentin, C.C.Page, M.Boll, U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.90 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	116.620, 150.200, 175.270, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 20.5

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

Iron

(Fe)

16 atoms

The binding sites of Molybdenum atom in the Structure of 4-Hydroxybenzoyl-Coa Reductase From Thauera Aromatica (pdb code 1sb3). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Structure of 4-Hydroxybenzoyl-Coa Reductase From Thauera Aromatica, PDB code: 1sb3:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum 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 Molybdenum with other atoms in the Mo 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:Mo1920 b:31.4 occ:1.00 MO A:PCD1920 0.0 31.4 1.0 OM1 A:PCD1920 1.7 26.6 1.0 OM2 A:PCD1920 1.8 37.4 1.0 OR1 A:PCD1920 2.2 23.7 1.0 S7' A:PCD1920 2.4 28.0 1.0 S8' A:PCD1920 2.4 26.1 1.0 C8' A:PCD1920 3.3 28.5 1.0 C7' A:PCD1920 3.3 26.2 1.0 OE2 A:GLU726 3.9 26.7 1.0 CA A:GLY246 4.0 20.6 1.0 N A:GLY246 4.0 23.6 1.0 N A:SER522 4.2 29.1 1.0 C A:PHE245 4.2 24.3 1.0 CA A:TYR521 4.3 28.4 1.0 O A:HOH2071 4.3 34.9 1.0 CD A:GLU726 4.3 26.2 1.0 O A:PHE245 4.4 25.3 1.0 OE1 A:GLU726 4.5 28.2 1.0 CG2 A:THR249 4.5 21.5 1.0 NE2 A:GLN214 4.6 19.9 1.0 O A:SER520 4.7 27.7 1.0 C A:TYR521 4.7 29.2 1.0 N A:ARG358 4.8 24.9 1.0 C9' A:PCD1920 4.8 25.8 1.0 C6' A:PCD1920 4.8 25.3 1.0 CA A:ARG358 4.8 24.6 1.0 CB A:TYR521 4.9 33.3 1.0 CA A:PHE245 5.0 21.7 1.0

Molybdenum 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 Molybdenum with other atoms in the Mo 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:Mo1921 b:33.5 occ:1.00 MO D:PCD1921 0.0 33.5 1.0 OM1 D:PCD1921 1.7 28.4 1.0 OM2 D:PCD1921 1.8 27.9 1.0 OR1 D:PCD1921 2.2 21.7 1.0 S7' D:PCD1921 2.3 26.6 1.0 S8' D:PCD1921 2.5 27.3 1.0 C7' D:PCD1921 3.3 24.6 1.0 C8' D:PCD1921 3.3 22.2 1.0 OE2 D:GLU726 3.8 25.4 1.0 CA D:GLY246 3.9 20.5 1.0 N D:GLY246 4.0 25.5 1.0 N D:SER522 4.2 20.1 1.0 C D:PHE245 4.2 23.0 1.0 CD D:GLU726 4.3 24.4 1.0 CA D:TYR521 4.3 23.0 1.0 O D:PHE245 4.4 25.6 1.0 O D:HOH2192 4.5 38.7 1.0 CG2 D:THR249 4.6 21.6 1.0 NE2 D:GLN214 4.6 21.8 1.0 OE1 D:GLU726 4.6 26.4 1.0 O D:SER520 4.7 22.1 1.0 N D:ARG358 4.7 22.8 1.0 C D:TYR521 4.8 23.1 1.0 C6' D:PCD1921 4.8 21.4 1.0 CA D:ARG358 4.8 23.8 1.0 C9' D:PCD1921 4.8 21.0 1.0 CA D:PHE245 5.0 23.3 1.0 CB D:TYR521 5.0 24.5 1.0 N5' D:PCD1921 5.0 23.1 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