Molybdenum in PDB 5e7o: Crystal Structure of the Perchlorate Reductase Pcrab Mutant W461E of Pcra From Azospira Suillum Ps

The structure of Crystal Structure of the Perchlorate Reductase Pcrab Mutant W461E of Pcra From Azospira Suillum Ps, PDB code: 5e7o 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)	48.32 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	135.588, 253.134, 135.797, 90.00, 119.77, 90.00
R / Rfree (%)	19.5 / 24.9

The structure of Crystal Structure of the Perchlorate Reductase Pcrab Mutant W461E of Pcra From Azospira Suillum Ps also contains other interesting chemical elements:

Iron

(Fe)

114 atoms

The binding sites of Molybdenum atom in the Crystal Structure of the Perchlorate Reductase Pcrab Mutant W461E of Pcra From Azospira Suillum Ps (pdb code 5e7o). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 6 binding sites of Molybdenum where determined in the Crystal Structure of the Perchlorate Reductase Pcrab Mutant W461E of Pcra From Azospira Suillum Ps, PDB code: 5e7o:
Jump to Molybdenum binding site number: 1; 2; 3; 4; 5; 6;

Molybdenum binding site 1 out of 6 in the Crystal Structure of the Perchlorate Reductase Pcrab Mutant W461E of Pcra 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 Mutant W461E of Pcra From Azospira Suillum Ps within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo1002 b:49.9 occ:1.00 OD1 A:ASP170 2.2 37.0 1.0 S13 A:MD11004 2.2 36.1 1.0 S13 A:MGD1003 2.5 35.7 1.0 OD2 A:ASP170 2.6 40.9 1.0 CG A:ASP170 2.7 35.4 1.0 S12 A:MD11004 2.7 35.8 1.0 S12 A:MGD1003 2.7 33.0 1.0 C13 A:MD11004 3.5 29.7 1.0 C13 A:MGD1003 3.6 28.2 1.0 C12 A:MGD1003 3.7 31.0 1.0 C12 A:MD11004 3.7 28.1 1.0 N A:GLY459 3.9 36.5 1.0 CB A:ASP170 4.2 33.3 1.0 CA A:GLY459 4.2 38.4 1.0 CB A:TYR168 4.4 25.1 1.0 CE1 A:HIS764 4.4 28.2 1.0 CE1 A:HIS770 4.4 22.9 1.0 C A:ILE458 4.6 38.2 1.0 ND2 A:ASN35 4.6 28.2 1.0 CB A:ILE458 4.7 41.7 1.0 NE2 A:HIS770 4.8 27.4 1.0 C14 A:MD11004 4.8 28.6 1.0 CA A:ASP170 4.9 33.2 1.0 NE2 A:HIS426 4.9 32.7 1.0 NE2 A:HIS764 4.9 26.7 1.0 C11 A:MGD1003 4.9 32.5 1.0 C14 A:MGD1003 4.9 29.1 1.0 CG A:TYR168 4.9 24.6 1.0 CE1 A:HIS426 5.0 31.3 1.0 CD2 A:TYR168 5.0 27.8 1.0

Molybdenum binding site 2 out of 6 in the Crystal Structure of the Perchlorate Reductase Pcrab Mutant W461E of Pcra 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 Mutant W461E of Pcra From Azospira Suillum Ps within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo1002 b:52.6 occ:1.00 S13 C:MD11004 2.2 32.2 1.0 S13 C:MGD1003 2.4 35.6 1.0 OD2 C:ASP170 2.6 43.3 1.0 OD1 C:ASP170 2.6 36.4 1.0 S12 C:MD11004 2.6 30.3 1.0 S12 C:MGD1003 2.7 37.6 1.0 CG C:ASP170 2.9 39.0 1.0 C13 C:MGD1003 3.5 28.8 1.0 C13 C:MD11004 3.5 29.8 1.0 C12 C:MGD1003 3.6 35.1 1.0 C12 C:MD11004 3.6 29.2 1.0 N C:GLY459 3.8 41.4 1.0 CA C:GLY459 4.2 45.3 1.0 CE1 C:HIS770 4.2 28.1 1.0 CB C:ASP170 4.3 38.9 1.0 CE1 C:HIS764 4.3 28.7 1.0 ND2 C:ASN35 4.4 32.6 1.0 C C:ILE458 4.4 42.1 1.0 O C:HOH1278 4.5 42.5 1.0 CB C:TYR168 4.6 26.6 1.0 NE2 C:HIS770 4.6 30.2 1.0 CB C:ILE458 4.7 47.7 1.0 C14 C:MGD1003 4.8 29.3 1.0 C14 C:MD11004 4.8 24.9 1.0 C11 C:MGD1003 4.8 35.2 1.0 CD2 C:TYR168 4.9 34.4 1.0 O C:ILE458 4.9 43.3 1.0 CA C:ILE458 4.9 45.5 1.0

Molybdenum binding site 3 out of 6 in the Crystal Structure of the Perchlorate Reductase Pcrab Mutant W461E of Pcra 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 Mutant W461E of Pcra From Azospira Suillum Ps within 5.0Å range: probe atom residue distance (Å) B Occ E:Mo1002 b:51.1 occ:1.00 OD2 E:ASP170 2.1 38.4 1.0 S13 E:MD11004 2.2 34.8 1.0 S13 E:MGD1003 2.5 35.4 1.0 OD1 E:ASP170 2.5 34.4 1.0 S12 E:MGD1003 2.6 33.3 1.0 CG E:ASP170 2.6 38.6 1.0 S12 E:MD11004 2.7 33.9 1.0 C13 E:MD11004 3.5 27.2 1.0 C13 E:MGD1003 3.6 37.0 1.0 C12 E:MGD1003 3.6 35.1 1.0 C12 E:MD11004 3.7 31.3 1.0 N E:GLY459 3.8 50.9 1.0 CA E:GLY459 4.0 49.2 1.0 O E:HOH1203 4.1 44.5 1.0 CB E:ASP170 4.1 35.4 1.0 CE1 E:HIS764 4.3 24.2 1.0 CE1 E:HIS770 4.4 30.7 1.0 CB E:TYR168 4.4 24.9 1.0 C E:ILE458 4.5 45.5 1.0 ND2 E:ASN35 4.6 34.8 1.0 CB E:ILE458 4.7 44.2 1.0 NE2 E:HIS770 4.7 34.0 1.0 CD2 E:TYR168 4.8 29.3 1.0 C14 E:MD11004 4.8 27.2 1.0 CG E:TYR168 4.9 22.9 1.0 C11 E:MGD1003 4.9 30.6 1.0 NE2 E:HIS426 4.9 38.8 1.0 C14 E:MGD1003 4.9 29.2 1.0 CE1 E:HIS426 5.0 42.1 1.0

Molybdenum binding site 4 out of 6 in the Crystal Structure of the Perchlorate Reductase Pcrab Mutant W461E of Pcra From Azospira Suillum Ps


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 4 of Crystal Structure of the Perchlorate Reductase Pcrab Mutant W461E of Pcra From Azospira Suillum Ps within 5.0Å range: probe atom residue distance (Å) B Occ G:Mo1002 b:50.0 occ:1.00 S13 G:MD11004 2.1 35.5 1.0 OD2 G:ASP170 2.4 31.3 1.0 OD1 G:ASP170 2.5 42.0 1.0 S12 G:MD11004 2.5 34.9 1.0 S13 G:MGD1003 2.6 34.6 1.0 S12 G:MGD1003 2.7 31.7 1.0 CG G:ASP170 2.7 37.2 1.0 C13 G:MD11004 3.3 33.7 1.0 C12 G:MD11004 3.5 33.0 1.0 C13 G:MGD1003 3.6 34.5 1.0 C12 G:MGD1003 3.6 34.0 1.0 O G:HOH1123 3.7 40.8 1.0 N G:GLY459 3.8 43.9 1.0 CA G:GLY459 3.9 44.7 1.0 CE1 G:HIS770 4.1 35.4 1.0 CB G:ASP170 4.2 37.4 1.0 NE2 G:HIS770 4.3 32.5 1.0 CE1 G:HIS764 4.3 29.7 1.0 C G:ILE458 4.4 43.4 1.0 CB G:TYR168 4.4 28.1 1.0 ND2 G:ASN35 4.5 40.4 1.0 C14 G:MD11004 4.7 31.5 1.0 O G:ILE458 4.8 50.6 1.0 O G:TYR168 4.9 33.2 1.0 C11 G:MGD1003 4.9 32.6 1.0 C11 G:MD11004 4.9 33.4 1.0 C14 G:MGD1003 5.0 32.6 1.0 CG G:TYR168 5.0 28.3 1.0 CD2 G:TYR168 5.0 32.3 1.0

Molybdenum binding site 5 out of 6 in the Crystal Structure of the Perchlorate Reductase Pcrab Mutant W461E of Pcra From Azospira Suillum Ps


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 5 of Crystal Structure of the Perchlorate Reductase Pcrab Mutant W461E of Pcra From Azospira Suillum Ps within 5.0Å range: probe atom residue distance (Å) B Occ I:Mo1002 b:73.5 occ:1.00 OD1 I:ASP170 2.0 54.2 1.0 S13 I:MD11004 2.1 49.9 1.0 OD2 I:ASP170 2.3 46.5 1.0 CG I:ASP170 2.4 51.7 1.0 S13 I:MGD1003 2.7 54.9 1.0 S12 I:MGD1003 2.8 39.8 1.0 S12 I:MD11004 3.0 40.4 1.0 CA I:GLY459 3.5 52.6 1.0 N I:GLY459 3.5 56.2 1.0 C13 I:MD11004 3.6 46.2 1.0 C13 I:MGD1003 3.6 44.2 1.0 C12 I:MGD1003 3.7 50.8 1.0 CB I:ASP170 3.8 52.7 1.0 C12 I:MD11004 3.9 46.6 1.0 C I:ILE458 4.2 57.9 1.0 CB I:TYR168 4.4 46.5 1.0 CA I:ASP170 4.6 53.8 1.0 CE1 I:HIS770 4.6 41.4 1.0 CD2 I:TYR168 4.7 47.0 1.0 O I:HOH1215 4.7 40.8 1.0 O I:ILE458 4.7 61.0 1.0 ND2 I:ASN35 4.7 41.7 1.0 NE2 I:HIS770 4.8 42.8 1.0 C14 I:MD11004 4.8 44.1 1.0 CE1 I:HIS764 4.8 42.9 1.0 NE2 I:HIS426 4.8 48.6 1.0 CG I:TYR168 4.8 48.1 1.0 N I:ASP170 4.9 56.8 1.0 CE1 I:HIS426 4.9 45.4 1.0 C14 I:MGD1003 5.0 44.8 1.0

Molybdenum binding site 6 out of 6 in the Crystal Structure of the Perchlorate Reductase Pcrab Mutant W461E of Pcra From Azospira Suillum Ps


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 6 of Crystal Structure of the Perchlorate Reductase Pcrab Mutant W461E of Pcra From Azospira Suillum Ps within 5.0Å range: probe atom residue distance (Å) B Occ K:Mo1002 b:53.3 occ:1.00 OD2 K:ASP170 2.0 47.7 1.0 S13 K:MGD1003 2.4 38.1 1.0 S13 K:MD11004 2.4 39.8 1.0 S12 K:MD11004 2.6 33.7 1.0 CG K:ASP170 2.7 50.7 1.0 S12 K:MGD1003 2.7 37.1 1.0 OD1 K:ASP170 2.8 50.7 1.0 C13 K:MGD1003 3.6 36.6 1.0 C12 K:MGD1003 3.6 36.4 1.0 N K:GLY459 3.7 50.0 1.0 C13 K:MD11004 3.7 41.3 1.0 C12 K:MD11004 3.7 38.9 1.0 CA K:GLY459 3.9 49.6 1.0 O K:HOH1138 4.1 45.0 1.0 CB K:ASP170 4.2 42.6 1.0 CE1 K:HIS770 4.3 31.0 1.0 ND2 K:ASN35 4.4 42.3 1.0 C K:ILE458 4.4 52.5 1.0 CE1 K:HIS764 4.4 30.6 1.0 CB K:TYR168 4.4 35.6 1.0 NE2 K:HIS770 4.6 36.6 1.0 O K:HOH1102 4.8 48.3 1.0 CB K:ILE458 4.8 52.3 1.0 C14 K:MGD1003 4.8 36.8 1.0 CD2 K:TYR168 4.9 34.9 1.0 C11 K:MGD1003 4.9 38.8 1.0 CA K:ILE458 4.9 50.9 1.0 O K:TYR168 5.0 35.3 1.0 CG K:TYR168 5.0 35.5 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