Molybdenum in PDB 8ccq: Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide

The structure of Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide, PDB code: 8ccq was solved by F.Engrola, T.Santos-Silva, M.J.Romao, M.A.S.Correia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	141.53 / 1.89
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	141.533, 148.395, 232.68, 90, 90, 90
R / Rfree (%)	15.5 / 20

The structure of Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide also contains other interesting chemical elements:

Antimony	(Sb)	4 atoms
Iron	(Fe)	20 atoms

The binding sites of Molybdenum atom in the Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide (pdb code 8ccq). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 4 binding sites of Molybdenum where determined in the Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide, PDB code: 8ccq:
Jump to Molybdenum binding site number: 1; 2; 3; 4;

Molybdenum binding site 1 out of 4 in the Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide


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 Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo2005 b:21.4 occ:1.00 O A:O2004 2.1 25.1 1.0 O A:O2003 2.3 30.0 1.0 S13 A:MGD2002 2.4 19.8 1.0 S13 A:MGD2001 2.4 17.1 1.0 S12 A:MGD2002 2.4 18.9 1.0 S12 A:MGD2001 2.5 18.4 1.0 SB A:SBO2012 3.2 24.8 0.8 C13 A:MGD2001 3.3 18.1 1.0 C13 A:MGD2002 3.3 17.6 1.0 C12 A:MGD2001 3.4 17.1 1.0 C12 A:MGD2002 3.4 16.9 1.0 NH2 A:ARG720 3.8 22.2 1.0 O3 A:SBO2012 3.9 22.4 0.8 ND2 A:ASN200 4.0 19.0 1.0 NZ A:LYS413 4.0 18.8 1.0 ND1 A:HIS451 4.2 20.4 1.0 CE A:LYS413 4.3 19.2 1.0 CA A:GLY450 4.4 21.0 1.0 CE1 A:HIS451 4.6 23.0 1.0 N A:HIS451 4.7 20.3 1.0 O2 A:SBO2012 4.7 22.2 0.8 C14 A:MGD2001 4.8 16.3 1.0 C14 A:MGD2002 4.8 18.7 1.0 NE2 A:HIS199 4.8 18.4 1.0 O1 A:SBO2012 4.8 30.2 0.8 CZ A:ARG720 4.8 22.4 1.0 C11 A:MGD2002 4.9 17.6 1.0 C11 A:MGD2001 4.9 18.1 1.0 CB A:ASN200 4.9 16.8 1.0 OE1 A:GLN726 4.9 26.9 1.0 CG A:ASN200 4.9 17.9 1.0 C A:GLY450 4.9 19.3 1.0 NE2 A:GLN726 5.0 29.4 1.0

Molybdenum binding site 2 out of 4 in the Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide


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 Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo2005 b:24.6 occ:1.00 O C:O2004 1.9 25.8 1.0 O C:O2003 2.2 19.4 1.0 S13 C:MGD2002 2.3 23.9 1.0 S12 C:MGD2002 2.4 24.3 1.0 S13 C:MGD2001 2.4 20.9 1.0 S12 C:MGD2001 2.5 20.7 1.0 C13 C:MGD2002 3.3 23.1 1.0 C12 C:MGD2002 3.3 22.8 1.0 C13 C:MGD2001 3.3 20.7 1.0 SB C:SBO2011 3.3 27.3 0.8 C12 C:MGD2001 3.4 19.0 1.0 O3 C:SBO2011 3.6 29.8 0.8 NH2 C:ARG720 3.8 26.2 1.0 NZ C:LYS413 4.0 22.4 1.0 ND2 C:ASN200 4.0 24.7 1.0 ND1 C:HIS451 4.1 23.5 1.0 CE C:LYS413 4.5 23.9 1.0 CE1 C:HIS451 4.5 24.1 1.0 CA C:GLY450 4.5 27.1 1.0 N C:HIS451 4.7 24.1 1.0 C14 C:MGD2002 4.8 22.9 1.0 C14 C:MGD2001 4.8 18.9 1.0 C11 C:MGD2002 4.8 22.0 1.0 NE2 C:HIS199 4.8 26.3 1.0 O1 C:SBO2011 4.8 27.1 0.8 O2 C:SBO2011 4.8 27.5 0.8 CZ C:ARG720 4.8 29.9 1.0 C11 C:MGD2001 4.9 19.1 1.0 CB C:ASN200 4.9 22.0 1.0 CG C:ASN200 4.9 21.9 1.0 OE1 C:GLN726 4.9 30.6 1.0 NE2 C:GLN726 5.0 27.6 1.0 C C:GLY450 5.0 25.0 1.0

Molybdenum binding site 3 out of 4 in the Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide


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 Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide within 5.0Å range: probe atom residue distance (Å) B Occ E:Mo2005 b:25.8 occ:1.00 O E:O2003 1.9 28.5 1.0 O E:O2004 2.0 26.2 1.0 S13 E:MGD2002 2.3 21.2 1.0 S12 E:MGD2002 2.4 22.9 1.0 S13 E:MGD2001 2.4 20.4 1.0 S12 E:MGD2001 2.5 19.7 1.0 C13 E:MGD2001 3.3 20.8 1.0 C12 E:MGD2001 3.3 18.5 1.0 C13 E:MGD2002 3.3 22.1 1.0 SB E:SBO2011 3.3 26.2 0.8 C12 E:MGD2002 3.4 22.8 1.0 O3 E:SBO2011 3.6 26.4 0.8 NH2 E:ARG720 3.7 27.5 1.0 NZ E:LYS413 4.1 21.9 1.0 ND2 E:ASN200 4.1 23.7 1.0 ND1 E:HIS451 4.2 22.5 1.0 CE E:LYS413 4.5 22.0 1.0 CA E:GLY450 4.5 28.1 1.0 CE1 E:HIS451 4.6 22.9 1.0 N E:HIS451 4.7 22.8 1.0 C14 E:MGD2002 4.7 23.6 1.0 C14 E:MGD2001 4.7 18.9 1.0 CZ E:ARG720 4.8 27.4 1.0 C11 E:MGD2001 4.8 20.1 1.0 C11 E:MGD2002 4.8 22.9 1.0 O2 E:SBO2011 4.8 27.6 0.8 CB E:ASN200 4.9 19.2 1.0 NE2 E:HIS199 4.9 19.2 1.0 O1 E:SBO2011 4.9 29.6 0.8 NE2 E:GLN726 5.0 30.8 1.0 CG E:ASN200 5.0 21.0 1.0 OE1 E:GLN726 5.0 29.0 1.0 C E:GLY450 5.0 27.0 1.0

Molybdenum binding site 4 out of 4 in the Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide


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 Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide within 5.0Å range: probe atom residue distance (Å) B Occ G:Mo2005 b:22.9 occ:1.00 O G:O2004 2.1 33.2 1.0 O G:O2003 2.3 27.8 1.0 S12 G:MGD2002 2.3 19.6 1.0 S13 G:MGD2002 2.4 21.1 1.0 S13 G:MGD2001 2.4 21.3 1.0 S12 G:MGD2001 2.5 22.1 1.0 C13 G:MGD2002 3.3 20.6 1.0 SB G:SBO2013 3.3 25.7 0.8 C12 G:MGD2002 3.3 23.9 1.0 C13 G:MGD2001 3.4 22.5 1.0 C12 G:MGD2001 3.4 22.2 1.0 O3 G:SBO2013 3.5 27.6 0.8 NH2 G:ARG720 3.9 21.0 1.0 NZ G:LYS413 4.0 18.9 1.0 ND2 G:ASN200 4.1 17.9 1.0 ND1 G:HIS451 4.2 25.5 1.0 CA G:GLY450 4.3 24.4 1.0 CE G:LYS413 4.5 17.9 1.0 N G:HIS451 4.7 21.2 1.0 C14 G:MGD2002 4.7 22.1 1.0 CE1 G:HIS451 4.7 26.0 1.0 C11 G:MGD2002 4.8 20.1 1.0 NE2 G:HIS199 4.8 19.9 1.0 C14 G:MGD2001 4.8 20.2 1.0 CZ G:ARG720 4.8 23.0 1.0 O2 G:SBO2013 4.9 26.9 0.8 CB G:ASN200 4.9 18.3 1.0 O1 G:SBO2013 4.9 28.6 0.8 C11 G:MGD2001 4.9 20.9 1.0 C G:GLY450 4.9 21.6 1.0 OE1 G:GLN726 5.0 28.1 1.0 CG G:ASN200 5.0 18.8 1.0

F.Engrola, T.Santos-Silva, M.J.Romao, M.A.S.Correia. Arsenite Oxidase in Complex with Antimonite and Arsenite Oxyanions - Insights Into the Catalytic Mechanism To Be Published.