Antimony 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:

Molybdenum	(Mo)	4 atoms
Iron	(Fe)	20 atoms

The binding sites of Antimony 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 Antimony atom.
In total 4 binding sites of Antimony 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 Antimony binding site number: 1; 2; 3; 4;

Antimony 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 Antimony with other atoms in the Sb 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:Sb2012 b:24.8 occ:0.80 SB A:SBO2012 0.0 24.8 0.8 O3 A:SBO2012 2.0 22.4 0.8 O2 A:SBO2012 2.0 22.2 0.8 O1 A:SBO2012 2.0 30.2 0.8 O A:O2004 2.1 25.1 1.0 O A:O2003 2.1 30.0 1.0 MO A:4MO2005 3.2 21.4 1.0 OE2 A:GLU207 3.6 24.1 1.0 ND2 A:ASN200 3.8 19.0 1.0 O A:HOH2226 3.9 27.8 1.0 NH2 A:ARG447 4.0 25.7 1.0 NE2 A:HIS199 4.1 18.4 1.0 O A:HOH2301 4.1 43.0 1.0 NZ A:LYS413 4.1 18.8 1.0 O A:HOH2189 4.1 24.8 1.0 N A:HIS451 4.1 20.3 1.0 ND1 A:HIS451 4.2 20.4 1.0 NH1 A:ARG447 4.4 25.9 1.0 CE1 A:HIS199 4.5 18.0 1.0 S12 A:MGD2001 4.6 18.4 1.0 CB A:HIS451 4.6 20.9 1.0 S12 A:MGD2002 4.6 18.9 1.0 CA A:GLY450 4.6 21.0 1.0 CZ A:ARG447 4.7 26.9 1.0 CD A:GLU207 4.7 20.8 1.0 S13 A:MGD2002 4.7 19.8 1.0 O A:HOH2328 4.8 31.0 1.0 CG A:HIS451 4.9 21.0 1.0 CG A:ASN200 4.9 17.9 1.0 N A:GLY450 4.9 23.1 1.0 C A:GLY450 4.9 19.3 1.0 S13 A:MGD2001 5.0 17.1 1.0 CA A:HIS451 5.0 19.2 1.0 OE1 A:GLU207 5.0 21.4 1.0 CB A:HIS170 5.0 16.8 1.0

Antimony 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 Antimony with other atoms in the Sb 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:Sb2011 b:27.3 occ:0.80 SB C:SBO2011 0.0 27.3 0.8 O C:O2003 1.8 19.4 1.0 O1 C:SBO2011 2.0 27.1 0.8 O2 C:SBO2011 2.0 27.5 0.8 O3 C:SBO2011 2.0 29.8 0.8 O C:O2004 2.3 25.8 1.0 MO C:4MO2005 3.3 24.6 1.0 OE2 C:GLU207 3.6 28.6 1.0 O C:HOH2172 3.8 34.3 1.0 ND2 C:ASN200 3.9 24.7 1.0 NH2 C:ARG447 4.0 32.6 1.0 O C:HOH2302 4.0 26.4 1.0 NE2 C:HIS199 4.0 26.3 1.0 ND1 C:HIS451 4.1 23.5 1.0 N C:HIS451 4.2 24.1 1.0 NZ C:LYS413 4.3 22.4 1.0 CE1 C:HIS199 4.5 23.1 1.0 NH1 C:ARG447 4.5 31.9 1.0 CB C:HIS451 4.6 24.1 1.0 CZ C:ARG447 4.7 28.9 1.0 S13 C:MGD2002 4.7 23.9 1.0 CD C:GLU207 4.7 31.9 1.0 S12 C:MGD2001 4.7 20.7 1.0 S12 C:MGD2002 4.7 24.3 1.0 CA C:GLY450 4.8 27.1 1.0 CG C:HIS451 4.8 24.4 1.0 CB C:HIS170 4.9 22.3 1.0 CG C:ASN200 4.9 21.9 1.0 O C:HOH2379 4.9 42.6 1.0 CA C:HIS451 5.0 23.2 1.0

Antimony 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 Antimony with other atoms in the Sb 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:Sb2011 b:26.2 occ:0.80 SB E:SBO2011 0.0 26.2 0.8 O E:O2004 1.9 26.2 1.0 O1 E:SBO2011 2.0 29.6 0.8 O2 E:SBO2011 2.0 27.6 0.8 O3 E:SBO2011 2.0 26.4 0.8 O E:O2003 2.2 28.5 1.0 MO E:4MO2005 3.3 25.8 1.0 OE2 E:GLU207 3.6 25.9 1.0 O E:HOH2255 3.8 35.8 1.0 ND2 E:ASN200 3.9 23.7 1.0 NH2 E:ARG447 3.9 29.8 1.0 O E:HOH2129 4.0 48.0 1.0 O E:HOH2204 4.0 26.8 1.0 NE2 E:HIS199 4.1 19.2 1.0 ND1 E:HIS451 4.1 22.5 1.0 N E:HIS451 4.2 22.8 1.0 NZ E:LYS413 4.3 21.9 1.0 NH1 E:ARG447 4.4 29.3 1.0 CB E:HIS451 4.5 21.7 1.0 CE1 E:HIS199 4.6 18.2 1.0 CD E:GLU207 4.6 26.4 1.0 S12 E:MGD2001 4.7 19.7 1.0 CZ E:ARG447 4.7 27.9 1.0 S12 E:MGD2002 4.7 22.9 1.0 S13 E:MGD2002 4.8 21.2 1.0 CG E:HIS451 4.8 21.9 1.0 O E:HOH2294 4.8 44.1 1.0 CA E:GLY450 4.8 28.1 1.0 CG E:ASN200 4.9 21.0 1.0 CB E:HIS170 4.9 21.3 1.0 CA E:HIS451 4.9 23.1 1.0 OE1 E:GLU207 4.9 22.1 1.0 N E:GLY450 5.0 29.1 1.0

Antimony 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 Antimony with other atoms in the Sb 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:Sb2013 b:25.7 occ:0.80 SB G:SBO2013 0.0 25.7 0.8 O3 G:SBO2013 1.9 27.6 0.8 O1 G:SBO2013 2.0 28.6 0.8 O G:O2003 2.1 27.8 1.0 O2 G:SBO2013 2.1 26.9 0.8 O G:O2004 2.3 33.2 1.0 MO G:4MO2005 3.3 22.9 1.0 OE2 G:GLU207 3.5 24.2 1.0 O G:HOH2170 3.8 25.5 1.0 O G:HOH2107 3.9 42.7 1.0 ND2 G:ASN200 3.9 17.9 1.0 NH2 G:ARG447 4.0 22.3 1.0 NE2 G:HIS199 4.0 19.9 1.0 O G:HOH2201 4.2 27.1 1.0 ND1 G:HIS451 4.2 25.5 1.0 N G:HIS451 4.2 21.2 1.0 NZ G:LYS413 4.3 18.9 1.0 NH1 G:ARG447 4.5 26.6 1.0 CE1 G:HIS199 4.5 20.0 1.0 S12 G:MGD2002 4.6 19.6 1.0 CB G:HIS451 4.6 21.8 1.0 S12 G:MGD2001 4.6 22.1 1.0 CD G:GLU207 4.6 24.8 1.0 CA G:GLY450 4.7 24.4 1.0 CZ G:ARG447 4.7 23.1 1.0 S13 G:MGD2002 4.8 21.1 1.0 O G:HOH2336 4.8 25.7 1.0 CG G:ASN200 4.9 18.8 1.0 CG G:HIS451 4.9 23.7 1.0 OE1 G:GLU207 4.9 24.8 1.0 N G:GLY450 5.0 26.5 1.0 CB G:HIS170 5.0 21.5 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.