Molybdenum in PDB 5ch7: Crystal Structure of the Perchlorate Reductase Pcrab - PHE164 Gate Switch Intermediate - From Azospira Suillum Ps

The structure of Crystal Structure of the Perchlorate Reductase Pcrab - PHE164 Gate Switch Intermediate - From Azospira Suillum Ps, PDB code: 5ch7 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)	48.38 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	132.884, 175.667, 193.278, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 23.3

The structure of Crystal Structure of the Perchlorate Reductase Pcrab - PHE164 Gate Switch Intermediate - From Azospira Suillum Ps also contains other interesting chemical elements:

Zinc	(Zn)	3 atoms
Iron	(Fe)	57 atoms
Sodium	(Na)	4 atoms

The binding sites of Molybdenum atom in the Crystal Structure of the Perchlorate Reductase Pcrab - PHE164 Gate Switch Intermediate - From Azospira Suillum Ps (pdb code 5ch7). 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 - PHE164 Gate Switch Intermediate - From Azospira Suillum Ps, PDB code: 5ch7:
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 - PHE164 Gate Switch Intermediate - 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 - PHE164 Gate Switch Intermediate - From Azospira Suillum Ps within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo1002 b:33.6 occ:1.00 S13 A:MD11004 2.2 30.3 1.0 OD2 A:ASP170 2.2 33.2 1.0 S13 A:MGD1003 2.4 28.1 1.0 S12 A:MD11004 2.5 28.5 1.0 S12 A:MGD1003 2.5 28.9 1.0 OD1 A:ASP170 2.6 34.8 1.0 CG A:ASP170 2.7 32.2 1.0 C13 A:MD11004 3.3 23.8 1.0 C12 A:MD11004 3.4 26.6 1.0 C13 A:MGD1003 3.5 19.9 1.0 C12 A:MGD1003 3.6 25.2 1.0 N A:GLY459 3.8 30.8 1.0 CA A:GLY459 4.1 30.3 1.0 CB A:ASP170 4.2 31.2 1.0 CE1 A:HIS770 4.2 23.5 1.0 CE1 A:HIS764 4.3 22.9 1.0 CB A:TYR168 4.3 28.5 1.0 C A:ILE458 4.3 32.3 1.0 CB A:ILE458 4.6 34.1 1.0 C14 A:MD11004 4.6 28.9 1.0 CD2 A:TYR168 4.7 30.4 1.0 CG A:TYR168 4.7 28.7 1.0 NE2 A:HIS770 4.8 23.7 1.0 NE2 A:HIS426 4.8 30.3 1.0 C11 A:MGD1003 4.8 24.2 1.0 O A:ILE458 4.8 30.3 1.0 C11 A:MD11004 4.9 23.6 1.0 CA A:ILE458 4.9 31.5 1.0 C14 A:MGD1003 4.9 27.4 1.0 CE1 A:HIS426 4.9 24.6 1.0

Molybdenum binding site 2 out of 3 in the Crystal Structure of the Perchlorate Reductase Pcrab - PHE164 Gate Switch Intermediate - 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 - PHE164 Gate Switch Intermediate - From Azospira Suillum Ps within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo1002 b:38.5 occ:1.00 OD2 C:ASP170 2.2 32.7 1.0 S13 C:MGD1003 2.3 33.3 1.0 OD1 C:ASP170 2.3 36.9 1.0 S13 C:MD11004 2.3 32.5 1.0 S12 C:MD11004 2.5 30.6 1.0 CG C:ASP170 2.5 37.3 1.0 S12 C:MGD1003 2.6 31.8 1.0 C13 C:MD11004 3.4 31.0 1.0 C13 C:MGD1003 3.5 27.1 1.0 C12 C:MD11004 3.5 32.7 1.0 C12 C:MGD1003 3.6 30.1 1.0 N C:GLY459 3.8 40.5 1.0 CA C:GLY459 4.0 38.6 1.0 CB C:ASP170 4.0 37.3 1.0 CE1 C:HIS770 4.3 28.3 1.0 C C:ILE458 4.3 37.2 1.0 CB C:TYR168 4.3 26.1 1.0 CE1 C:HIS764 4.4 29.2 1.0 CB C:ILE458 4.6 36.6 1.0 NE2 C:HIS770 4.6 31.9 1.0 CD2 C:TYR168 4.7 29.9 1.0 C14 C:MD11004 4.8 31.3 1.0 CG C:TYR168 4.8 32.8 1.0 C11 C:MGD1003 4.8 29.5 1.0 C14 C:MGD1003 4.9 32.6 1.0 CA C:ASP170 4.9 33.3 1.0 O C:TYR168 4.9 29.4 1.0 CA C:ILE458 4.9 36.5 1.0 O C:ILE458 4.9 37.6 1.0 NE2 C:HIS426 4.9 26.6 1.0 ND2 C:ASN35 4.9 37.0 1.0 C11 C:MD11004 5.0 32.2 1.0

Molybdenum binding site 3 out of 3 in the Crystal Structure of the Perchlorate Reductase Pcrab - PHE164 Gate Switch Intermediate - 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 - PHE164 Gate Switch Intermediate - From Azospira Suillum Ps within 5.0Å range: probe atom residue distance (Å) B Occ E:Mo1002 b:32.8 occ:1.00 OD2 E:ASP170 2.0 33.7 1.0 S13 E:MD11004 2.3 28.5 1.0 S13 E:MGD1003 2.4 31.1 1.0 S12 E:MD11004 2.5 23.1 1.0 S12 E:MGD1003 2.6 31.4 1.0 CG E:ASP170 2.7 36.0 1.0 OD1 E:ASP170 2.7 39.3 1.0 C13 E:MD11004 3.4 27.6 1.0 C12 E:MD11004 3.5 26.2 1.0 C13 E:MGD1003 3.6 18.4 1.0 C12 E:MGD1003 3.7 24.6 1.0 N E:GLY459 3.8 32.8 1.0 O E:HOH1419 4.0 32.5 1.0 CA E:GLY459 4.1 33.9 1.0 CB E:ASP170 4.2 34.9 1.0 CE1 E:HIS770 4.2 24.8 1.0 CE1 E:HIS764 4.3 23.3 1.0 CB E:TYR168 4.4 28.7 1.0 C E:ILE458 4.4 35.2 1.0 NE2 E:HIS770 4.7 19.8 1.0 CD2 E:TYR168 4.7 29.0 1.0 C14 E:MD11004 4.7 26.4 1.0 CB E:ILE458 4.8 39.8 1.0 ND2 E:ASN35 4.8 29.7 1.0 CG E:TYR168 4.8 29.1 1.0 NE2 E:HIS426 4.9 31.2 1.0 CA E:ILE458 4.9 35.8 1.0 C14 E:MGD1003 5.0 24.8 1.0 O E:ILE458 5.0 33.2 1.0 C11 E:MGD1003 5.0 24.5 1.0 C11 E:MD11004 5.0 22.1 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