Molybdenum in PDB 5chc: Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps

The structure of Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps, PDB code: 5chc was solved by C.-L.Tsai, J.A.Tainer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.52 / 2.38
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	133.926, 176.022, 193.691, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 22.7

The structure of Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps also contains other interesting chemical elements:

Zinc	(Zn)	3 atoms
Iron	(Fe)	57 atoms
Sodium	(Na)	8 atoms

The binding sites of Molybdenum atom in the Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps (pdb code 5chc). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 3 binding sites of Molybdenum where determined in the Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps, PDB code: 5chc:
Jump to Molybdenum binding site number: 1; 2; 3;

Molybdenum binding site 1 out of 3 in the Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo1002 b:35.7 occ:1.00 OD2 A:ASP170 2.0 35.1 1.0 S13 A:MD11004 2.2 28.8 1.0 O2 A:BSY1013 2.3 31.0 0.5 S13 A:MGD1003 2.4 30.4 1.0 S12 A:MD11004 2.5 34.5 1.0 S12 A:MGD1003 2.6 30.1 1.0 CG A:ASP170 3.0 36.8 1.0 C13 A:MD11004 3.4 28.7 1.0 OD1 A:ASP170 3.5 38.0 1.0 C12 A:MD11004 3.5 29.2 1.0 C13 A:MGD1003 3.6 27.0 1.0 SE A:BSY1013 3.6 64.4 0.5 C12 A:MGD1003 3.7 26.5 1.0 N A:GLY459 3.9 26.2 1.0 O3 A:BSY1013 3.9 43.9 0.5 CA A:GLY459 4.1 30.9 1.0 ND2 A:ASN35 4.2 29.3 1.0 CE1 A:HIS770 4.2 27.8 1.0 CB A:ASP170 4.2 35.9 1.0 CB A:TYR168 4.4 32.5 1.0 C A:ILE458 4.4 28.8 1.0 CE1 A:HIS764 4.4 28.6 1.0 CD2 A:TYR168 4.7 33.9 1.0 NE2 A:HIS770 4.7 27.5 1.0 CB A:ILE458 4.7 37.4 1.0 C14 A:MD11004 4.8 27.7 1.0 CG A:TYR168 4.8 33.8 1.0 C11 A:MGD1003 4.9 24.9 1.0 O1 A:BSY1013 4.9 35.4 0.5 C14 A:MGD1003 4.9 27.7 1.0 O A:ILE458 4.9 31.6 1.0 C11 A:MD11004 4.9 31.1 1.0

Molybdenum binding site 2 out of 3 in the Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo1002 b:35.6 occ:1.00 OD2 C:ASP170 2.1 35.5 1.0 O2 C:BSY1009 2.2 33.4 0.6 S13 C:MGD1003 2.3 32.0 1.0 S13 C:MD11004 2.4 30.7 1.0 S12 C:MD11004 2.5 30.9 1.0 S12 C:MGD1003 2.5 33.3 1.0 CG C:ASP170 3.0 36.1 1.0 OD1 C:ASP170 3.3 31.4 1.0 C13 C:MGD1003 3.5 25.2 1.0 C13 C:MD11004 3.5 30.6 1.0 C12 C:MD11004 3.6 33.5 1.0 C12 C:MGD1003 3.6 32.3 1.0 SE C:BSY1009 3.7 51.2 0.6 N C:GLY459 4.0 31.2 1.0 CA C:GLY459 4.1 33.1 1.0 O3 C:BSY1009 4.1 35.9 0.6 CE1 C:HIS770 4.3 29.1 1.0 CB C:ASP170 4.4 30.5 1.0 C C:ILE458 4.4 34.2 1.0 ND2 C:ASN35 4.4 29.6 1.0 CB C:TYR168 4.4 29.8 1.0 CE1 C:HIS764 4.5 31.0 1.0 O1 C:BSY1009 4.5 39.9 0.6 CB C:ILE458 4.6 33.0 1.0 NE2 C:HIS770 4.6 28.4 1.0 CD2 C:TYR168 4.6 30.6 1.0 O C:ILE458 4.8 38.2 1.0 C11 C:MGD1003 4.8 32.2 1.0 CG C:TYR168 4.8 32.2 1.0 C14 C:MD11004 4.9 33.0 1.0 C14 C:MGD1003 4.9 31.4 1.0 CA C:ILE458 5.0 34.5 1.0 C11 C:MD11004 5.0 33.2 1.0

Molybdenum binding site 3 out of 3 in the Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 3 of Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps within 5.0Å range: probe atom residue distance (Å) B Occ E:Mo1002 b:34.2 occ:1.00 OD2 E:ASP170 2.0 37.7 1.0 S13 E:MD11004 2.4 32.6 1.0 O2 E:BSY1008 2.4 34.4 0.5 S13 E:MGD1003 2.4 32.9 1.0 S12 E:MD11004 2.4 30.6 1.0 S12 E:MGD1003 2.6 33.7 1.0 CG E:ASP170 3.0 39.4 1.0 OD1 E:ASP170 3.4 43.0 1.0 C13 E:MD11004 3.5 29.2 1.0 C12 E:MD11004 3.6 29.9 1.0 C13 E:MGD1003 3.6 27.7 1.0 C12 E:MGD1003 3.6 28.6 1.0 SE E:BSY1008 3.9 59.0 0.5 N E:GLY459 3.9 29.2 1.0 CA E:GLY459 4.0 31.3 1.0 O3 E:BSY1008 4.1 35.8 0.5 CE1 E:HIS770 4.2 26.3 1.0 CB E:ASP170 4.3 36.1 1.0 ND2 E:ASN35 4.3 29.4 1.0 C E:ILE458 4.3 33.9 1.0 O1 E:BSY1008 4.4 38.7 0.5 CB E:TYR168 4.4 29.1 1.0 CE1 E:HIS764 4.6 27.3 1.0 CD2 E:TYR168 4.7 32.9 1.0 NE2 E:HIS770 4.7 25.1 1.0 O E:ILE458 4.7 34.5 1.0 CB E:ILE458 4.7 37.3 1.0 C14 E:MD11004 4.8 32.0 1.0 CG E:TYR168 4.8 30.5 1.0 C11 E:MGD1003 4.8 25.7 1.0 C14 E:MGD1003 4.9 27.6 1.0 C11 E:MD11004 5.0 29.0 1.0

M.D.Youngblut, C.L.Tsai, I.C.Clark, H.K.Carlson, A.P.Maglaqui, P.S.Gau-Pan, S.A.Redford, A.Wong, J.A.Tainer, J.D.Coates. Perchlorate Reductase Is Distinguished By Active Site Aromatic Gate Residues. J.Biol.Chem. V. 291 9190 2016.
ISSN: ESSN 1083-351X
PubMed: 26940877
DOI: 10.1074/JBC.M116.714618