Molybdenum in PDB 8rtl: Af Aio C65F-C80G

All present enzymatic activity of Af Aio C65F-C80G:
1.20.9.1;

The structure of Af Aio C65F-C80G, PDB code: 8rtl 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)	116.07 / 1.89
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	90.164, 108.797, 117.109, 97.58, 90.04, 96.18
R / Rfree (%)	20 / 23.5

The structure of Af Aio C65F-C80G also contains other interesting chemical elements:

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

The binding sites of Molybdenum atom in the Af Aio C65F-C80G (pdb code 8rtl). 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, PDB code: 8rtl:
Jump to Molybdenum binding site number: 1; 2; 3; 4;

Molybdenum binding site 1 out of 4 in the Af Aio C65F-C80G


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo903 b:21.2 occ:0.95 O A:O915 1.5 22.9 1.0 S13 A:MGD902 2.3 19.8 1.0 S12 A:MGD902 2.3 20.9 1.0 S13 A:MGD901 2.3 19.1 1.0 S12 A:MGD901 2.4 21.4 1.0 O4 A:PEG911 3.1 56.2 1.0 C13 A:MGD902 3.3 22.1 1.0 C12 A:MGD902 3.4 20.7 1.0 C13 A:MGD901 3.4 22.0 1.0 C12 A:MGD901 3.5 20.6 1.0 C4 A:PEG911 3.7 51.7 1.0 NH2 A:ARG702 3.8 18.2 1.0 ND2 A:ASN196 3.9 21.4 1.0 NZ A:LYS385 3.9 22.4 1.0 CE A:LYS385 4.3 20.9 1.0 CA A:GLY422 4.4 20.6 1.0 ND1 A:HIS423 4.4 21.7 1.0 CB A:ASN196 4.7 21.6 1.0 C3 A:PEG911 4.7 52.4 1.0 CZ A:ARG702 4.7 17.9 1.0 C14 A:MGD902 4.7 21.0 1.0 CE1 A:HIS423 4.8 24.2 1.0 C14 A:MGD901 4.8 18.4 1.0 N A:HIS423 4.8 20.7 1.0 C11 A:MGD902 4.8 22.0 1.0 C2 A:PEG911 4.8 44.1 1.0 CG A:ASN196 4.9 24.4 1.0 NE2 A:GLN708 4.9 22.2 1.0 NE2 A:HIS195 4.9 26.4 1.0 O2 A:PEG911 4.9 42.2 1.0 C11 A:MGD901 4.9 19.9 1.0 OE1 A:GLN708 5.0 24.6 1.0

Molybdenum binding site 2 out of 4 in the Af Aio C65F-C80G


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 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo903 b:23.1 occ:0.95 O C:O911 1.7 11.3 1.0 S12 C:MGD902 2.4 19.4 1.0 S12 C:MGD901 2.4 22.9 1.0 S13 C:MGD901 2.4 23.7 1.0 S13 C:MGD902 2.5 19.4 1.0 C12 C:MGD902 3.3 21.3 1.0 C12 C:MGD901 3.4 24.7 1.0 C13 C:MGD902 3.4 24.3 1.0 C13 C:MGD901 3.4 22.9 1.0 O C:HOH1021 3.5 40.2 1.0 NH2 C:ARG702 3.8 24.0 1.0 OH7 C:1PE909 3.9 57.1 1.0 NZ C:LYS385 4.0 24.6 1.0 ND2 C:ASN196 4.1 28.3 1.0 CA C:GLY422 4.3 18.2 1.0 CE C:LYS385 4.3 24.4 1.0 ND1 C:HIS423 4.4 25.5 1.0 CZ C:ARG702 4.7 21.4 1.0 C16 C:1PE909 4.7 44.8 1.0 CB C:ASN196 4.8 19.0 1.0 C11 C:MGD902 4.8 21.9 1.0 C14 C:MGD902 4.8 22.6 1.0 C14 C:MGD901 4.8 23.5 1.0 N C:HIS423 4.8 21.6 1.0 NE2 C:GLN708 4.8 25.1 1.0 CE1 C:HIS423 4.8 23.8 1.0 C11 C:MGD901 4.8 25.4 1.0 OE1 C:GLN708 4.9 22.4 1.0 C C:GLY422 4.9 20.4 1.0 CG C:ASN196 5.0 21.0 1.0 NE2 C:HIS195 5.0 19.6 1.0

Molybdenum binding site 3 out of 4 in the Af Aio C65F-C80G


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 within 5.0Å range: probe atom residue distance (Å) B Occ E:Mo904 b:20.4 occ:0.95 O E:O912 1.8 14.9 1.0 S13 E:MGD903 2.3 23.0 1.0 S12 E:MGD902 2.3 20.0 1.0 S13 E:MGD902 2.3 24.4 1.0 S12 E:MGD903 2.4 19.9 1.0 C1 E:PEG909 3.3 42.1 1.0 C13 E:MGD903 3.3 24.6 1.0 C12 E:MGD902 3.3 23.4 1.0 C13 E:MGD902 3.3 22.3 1.0 C12 E:MGD903 3.4 20.0 1.0 NH2 E:ARG702 3.8 25.5 1.0 O1 E:PEG909 3.9 38.6 1.0 NZ E:LYS385 3.9 22.7 1.0 ND2 E:ASN196 4.0 19.7 1.0 C2 E:PEG909 4.3 51.6 1.0 CA E:GLY422 4.3 20.0 1.0 CE E:LYS385 4.3 24.4 1.0 ND1 E:HIS423 4.5 23.3 1.0 CZ E:ARG702 4.6 24.4 1.0 N E:HIS423 4.7 20.9 1.0 C14 E:MGD903 4.7 24.2 1.0 C11 E:MGD902 4.8 23.3 1.0 CB E:ASN196 4.8 19.9 1.0 C14 E:MGD902 4.8 23.4 1.0 O2 E:PEG909 4.8 40.4 1.0 C11 E:MGD903 4.8 22.6 1.0 CE1 E:HIS423 4.9 20.6 1.0 C E:GLY422 4.9 18.9 1.0 OE1 E:GLN708 4.9 25.6 1.0 CG E:ASN196 4.9 21.3 1.0 NE2 E:HIS195 5.0 21.5 1.0

Molybdenum binding site 4 out of 4 in the Af Aio C65F-C80G


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 within 5.0Å range: probe atom residue distance (Å) B Occ G:Mo901 b:21.8 occ:0.95 O G:O915 1.5 21.8 1.0 S12 G:MGD902 2.4 19.0 1.0 S13 G:MGD903 2.4 17.8 1.0 S13 G:MGD902 2.4 24.6 1.0 S12 G:MGD903 2.5 21.6 1.0 O G:HOH1015 3.3 35.9 1.0 C12 G:MGD902 3.3 18.7 1.0 C13 G:MGD902 3.4 23.5 1.0 C13 G:MGD903 3.4 22.7 1.0 C12 G:MGD903 3.4 19.8 1.0 NH2 G:ARG702 3.8 22.2 1.0 NZ G:LYS385 3.9 26.0 1.0 ND2 G:ASN196 4.0 24.6 1.0 O G:HOH1280 4.3 36.0 1.0 CE G:LYS385 4.4 24.5 1.0 CA G:GLY422 4.4 21.0 1.0 ND1 G:HIS423 4.4 24.2 1.0 CZ G:ARG702 4.7 19.6 1.0 CE1 G:HIS423 4.7 24.6 1.0 C11 G:MGD902 4.7 20.4 1.0 CB G:ASN196 4.8 19.7 1.0 C14 G:MGD902 4.8 20.0 1.0 C14 G:MGD903 4.8 19.2 1.0 N G:HIS423 4.8 20.0 1.0 C11 G:MGD903 4.9 19.4 1.0 OE1 G:GLN708 4.9 27.3 1.0 O G:HOH1051 4.9 31.6 1.0 CG G:ASN196 4.9 19.3 1.0 NE2 G:HIS195 4.9 20.9 1.0 NE2 G:GLN708 4.9 25.8 1.0 C G:GLY422 5.0 20.6 1.0

F.Engrola, M.J.Romao, M.Correia, T.Santos-Silva. Alcaligenes Faecalis Aio B C65F-C80G Bound to Sb Oxyanion To Be Published.