Molybdenum in PDB 8rtm: Af Aio C65F-C80G Bound to Sb Oxyanion

All present enzymatic activity of Af Aio C65F-C80G Bound to Sb Oxyanion:
1.20.9.1;

The structure of Af Aio C65F-C80G Bound to Sb Oxyanion, PDB code: 8rtm was solved by F.Engrola, M.J.Romao, M.Correia, T.Santos-Silva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.94 / 1.87
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	90.254, 109.123, 116.997, 82.33, 89.68, 83.69
R / Rfree (%)	17.9 / 21.4

The structure of Af Aio C65F-C80G Bound to Sb Oxyanion also contains other interesting chemical elements:

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

The binding sites of Molybdenum atom in the Af Aio C65F-C80G Bound to Sb Oxyanion (pdb code 8rtm). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 4 binding sites of Molybdenum where determined in the Af Aio C65F-C80G Bound to Sb Oxyanion, PDB code: 8rtm:
Jump to Molybdenum binding site number: 1; 2; 3; 4;

Molybdenum binding site 1 out of 4 in the Af Aio C65F-C80G Bound to Sb Oxyanion


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Af Aio C65F-C80G Bound to Sb Oxyanion within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo901 b:15.6 occ:1.00 O A:O920 1.8 19.3 1.0 S13 A:MGD903 2.2 16.1 1.0 S12 A:MGD902 2.3 16.0 1.0 S13 A:MGD902 2.4 14.7 1.0 S12 A:MGD903 2.4 15.9 1.0 C13 A:MGD902 3.2 16.3 1.0 C12 A:MGD902 3.3 18.0 1.0 C13 A:MGD903 3.3 13.9 1.0 C12 A:MGD903 3.4 13.0 1.0 SB A:SBO911 3.4 37.7 0.3 NH2 A:ARG702 3.7 16.5 1.0 O1 A:SBO911 3.9 33.0 1.0 NZ A:LYS385 4.0 20.6 1.0 ND2 A:ASN196 4.1 21.5 1.0 CE A:LYS385 4.2 17.2 1.0 CA A:GLY422 4.2 17.0 1.0 ND1 A:HIS423 4.4 13.7 1.0 CZ A:ARG702 4.6 14.2 1.0 C14 A:MGD902 4.7 13.8 1.0 CE1 A:HIS423 4.7 15.6 1.0 C11 A:MGD902 4.7 15.1 1.0 C14 A:MGD903 4.8 15.6 1.0 N A:HIS423 4.8 15.1 1.0 CB A:ASN196 4.8 16.7 1.0 C11 A:MGD903 4.8 14.3 1.0 NE2 A:GLN708 4.9 18.3 1.0 C A:GLY422 4.9 15.9 1.0 OE1 A:GLN708 4.9 16.0 1.0 CG A:ASN196 5.0 18.8 1.0

Molybdenum binding site 2 out of 4 in the Af Aio C65F-C80G Bound to Sb Oxyanion


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Af Aio C65F-C80G Bound to Sb Oxyanion within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo903 b:15.8 occ:1.00 O C:O920 1.7 17.2 1.0 S13 C:MGD904 2.3 18.6 1.0 S12 C:MGD902 2.4 13.4 1.0 S13 C:MGD902 2.4 12.8 1.0 S12 C:MGD904 2.4 14.2 1.0 C13 C:MGD902 3.2 12.1 1.0 C12 C:MGD902 3.3 12.2 1.0 C13 C:MGD904 3.4 14.9 1.0 C12 C:MGD904 3.4 16.3 1.0 SB C:SBO918 3.6 36.8 0.3 O2 C:SBO918 3.6 29.4 1.0 NH2 C:ARG702 3.7 15.1 1.0 ND2 C:ASN196 3.9 19.8 1.0 NZ C:LYS385 3.9 16.9 1.0 CE C:LYS385 4.2 15.0 1.0 CA C:GLY422 4.3 11.1 1.0 ND1 C:HIS423 4.4 10.8 1.0 O3 C:SBO918 4.5 41.1 1.0 CZ C:ARG702 4.6 13.8 1.0 C14 C:MGD902 4.7 14.6 1.0 CE1 C:HIS423 4.7 12.8 1.0 N C:HIS423 4.8 12.6 1.0 C11 C:MGD902 4.8 12.6 1.0 C14 C:MGD904 4.8 18.0 1.0 CB C:ASN196 4.8 13.1 1.0 C11 C:MGD904 4.8 13.0 1.0 OE1 C:GLN708 4.9 20.1 1.0 CG C:ASN196 4.9 16.6 1.0 NE2 C:GLN708 4.9 13.3 1.0 C C:GLY422 4.9 10.3 1.0

Molybdenum binding site 3 out of 4 in the Af Aio C65F-C80G Bound to Sb Oxyanion


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 3 of Af Aio C65F-C80G Bound to Sb Oxyanion within 5.0Å range: probe atom residue distance (Å) B Occ E:Mo903 b:16.7 occ:1.00 O E:O918 1.5 16.7 1.0 S13 E:MGD902 2.3 16.5 1.0 S12 E:MGD902 2.4 14.6 1.0 S12 E:MGD901 2.4 17.1 1.0 S13 E:MGD901 2.4 13.2 1.0 C12 E:MGD901 3.3 15.4 1.0 C13 E:MGD902 3.3 14.9 1.0 C13 E:MGD901 3.3 15.2 1.0 C12 E:MGD902 3.4 14.1 1.0 SB E:SBO917 3.6 33.8 0.3 NH2 E:ARG702 3.7 15.4 1.0 NZ E:LYS385 3.9 14.1 1.0 ND2 E:ASN196 3.9 19.5 1.0 O1 E:SBO917 4.0 33.2 1.0 CE E:LYS385 4.1 13.9 1.0 CA E:GLY422 4.3 15.4 1.0 ND1 E:HIS423 4.4 15.7 1.0 CZ E:ARG702 4.6 14.5 1.0 O3 E:SBO917 4.6 21.5 0.3 CE1 E:HIS423 4.7 16.1 1.0 CB E:ASN196 4.8 16.9 1.0 C11 E:MGD901 4.8 14.5 1.0 C14 E:MGD902 4.8 16.5 1.0 C14 E:MGD901 4.8 15.9 1.0 N E:HIS423 4.8 12.4 1.0 C11 E:MGD902 4.8 12.9 1.0 CG E:ASN196 4.9 19.7 1.0 OE1 E:GLN708 4.9 17.0 1.0 NE2 E:GLN708 4.9 14.7 1.0 C E:GLY422 5.0 12.3 1.0 NE2 E:HIS195 5.0 16.0 1.0

Molybdenum binding site 4 out of 4 in the Af Aio C65F-C80G Bound to Sb Oxyanion


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 4 of Af Aio C65F-C80G Bound to Sb Oxyanion within 5.0Å range: probe atom residue distance (Å) B Occ G:Mo904 b:16.0 occ:1.00 O G:O915 1.8 19.6 1.0 S13 G:MGD902 2.3 15.8 1.0 S12 G:MGD901 2.3 17.6 1.0 S13 G:MGD901 2.4 14.2 1.0 S12 G:MGD902 2.4 14.8 1.0 C13 G:MGD901 3.3 15.2 1.0 C12 G:MGD901 3.3 15.6 1.0 C13 G:MGD902 3.4 15.6 1.0 C12 G:MGD902 3.4 15.1 1.0 SB G:SBO909 3.5 32.1 0.3 NH2 G:ARG702 3.7 14.4 1.0 O2 G:SBO909 3.7 25.1 1.0 NZ G:LYS385 3.9 19.7 1.0 ND2 G:ASN196 4.0 18.8 1.0 CE G:LYS385 4.2 16.8 1.0 CA G:GLY422 4.3 13.9 1.0 ND1 G:HIS423 4.3 13.2 1.0 CZ G:ARG702 4.6 13.1 1.0 CE1 G:HIS423 4.7 15.0 1.0 C14 G:MGD901 4.7 12.3 1.0 N G:HIS423 4.8 13.4 1.0 C14 G:MGD902 4.8 17.6 1.0 CB G:ASN196 4.8 15.6 1.0 C11 G:MGD901 4.8 14.1 1.0 C11 G:MGD902 4.8 14.8 1.0 OE1 G:GLN708 4.9 16.6 1.0 C G:GLY422 4.9 11.4 1.0 CG G:ASN196 4.9 18.6 1.0 NE2 G:GLN708 4.9 19.5 1.0

F.Engrola, M.J.Romao, M.Correia, T.Santos-Silva. Alcaligenes Faecalis Arsenite Oxidase C65G-C80G with Antimony To Be Published.