Molybdenum in PDB 2a9c: Crystal Structure of R138Q Mutant of Recombinant Chicken Sulfite Oxidase with the Bound Product, Sulfate, at the Active Site

All present enzymatic activity of Crystal Structure of R138Q Mutant of Recombinant Chicken Sulfite Oxidase with the Bound Product, Sulfate, at the Active Site:
1.8.3.1;

The structure of Crystal Structure of R138Q Mutant of Recombinant Chicken Sulfite Oxidase with the Bound Product, Sulfate, at the Active Site, PDB code: 2a9c was solved by E.Karakas, H.L.Wilson, T.N.Graf, S.Xiang, S.Jaramillo-Busquets, K.V.Rajagopalan, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.905, 122.572, 55.180, 90.00, 94.97, 90.00
R / Rfree (%)	15.6 / 23.7

The binding sites of Molybdenum atom in the Crystal Structure of R138Q Mutant of Recombinant Chicken Sulfite Oxidase with the Bound Product, Sulfate, at the Active Site (pdb code 2a9c). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Crystal Structure of R138Q Mutant of Recombinant Chicken Sulfite Oxidase with the Bound Product, Sulfate, at the Active Site, PDB code: 2a9c:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Crystal Structure of R138Q Mutant of Recombinant Chicken Sulfite Oxidase with the Bound Product, Sulfate, at the Active Site


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 R138Q Mutant of Recombinant Chicken Sulfite Oxidase with the Bound Product, Sulfate, at the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo2501 b:14.9 occ:1.00 O A:HOH7504 1.7 14.4 1.0 O A:HOH7505 1.9 14.9 1.0 S1' A:MTE1501 2.3 13.8 1.0 SG A:CYS185 2.4 13.6 1.0 S2' A:MTE1501 2.5 13.1 1.0 C1' A:MTE1501 3.4 13.9 1.0 C2' A:MTE1501 3.4 13.6 1.0 CB A:CYS185 3.5 13.8 1.0 N A:ALA186 3.7 14.6 1.0 CA A:CYS185 3.7 14.0 1.0 N A:ALA297 4.1 14.5 1.0 OH A:TYR322 4.2 18.8 1.0 C A:CYS185 4.2 15.1 1.0 CG A:GLN138 4.2 19.3 1.0 NE2 A:GLN138 4.3 21.0 1.0 CZ A:TYR322 4.3 18.9 1.0 CB A:ALA297 4.4 13.1 1.0 CA A:ALA297 4.5 13.7 1.0 O A:HOH7537 4.5 15.4 1.0 CE1 A:TYR322 4.5 19.5 1.0 C A:GLY296 4.7 14.9 1.0 C6 A:MTE1501 4.7 13.6 1.0 CB A:ALA186 4.7 14.8 1.0 CA A:ALA186 4.8 14.4 1.0 C3' A:MTE1501 4.8 13.2 1.0 CD A:GLN138 4.8 20.4 1.0 CA A:GLY296 4.8 14.3 1.0 CB A:GLN138 5.0 19.1 1.0

Molybdenum binding site 2 out of 2 in the Crystal Structure of R138Q Mutant of Recombinant Chicken Sulfite Oxidase with the Bound Product, Sulfate, at the Active Site


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 R138Q Mutant of Recombinant Chicken Sulfite Oxidase with the Bound Product, Sulfate, at the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo5501 b:17.1 occ:1.00 O B:HOH9506 1.5 15.2 1.0 S2' B:MTE4501 2.3 13.0 1.0 SG B:CYS185 2.4 16.2 1.0 S1' B:MTE4501 2.5 12.8 1.0 C2' B:MTE4501 3.3 14.5 1.0 CB B:CYS185 3.4 15.5 1.0 C1' B:MTE4501 3.4 13.9 1.0 OH B:TYR322 3.5 20.2 1.0 CA B:CYS185 3.7 15.1 1.0 N B:ALA186 3.8 15.0 1.0 CZ B:TYR322 4.0 20.0 1.0 CG B:GLN138 4.1 20.2 1.0 CE1 B:TYR322 4.1 20.0 1.0 NE2 B:GLN138 4.1 21.3 1.0 N B:ALA297 4.2 14.5 1.0 C B:CYS185 4.2 15.0 1.0 O B:HOH9756 4.4 31.9 1.0 CB B:ALA297 4.5 14.0 1.0 CA B:ALA297 4.5 14.4 1.0 CD B:GLN138 4.7 21.1 1.0 C6 B:MTE4501 4.7 13.5 1.0 C B:GLY296 4.8 14.4 1.0 C3' B:MTE4501 4.8 14.2 1.0 CE2 B:TYR322 4.9 19.7 1.0 CB B:ALA186 4.9 14.6 1.0 CA B:ALA186 4.9 14.7 1.0 CB B:GLN138 4.9 19.6 1.0 CA B:GLY296 5.0 14.1 1.0

E.Karakas, H.L.Wilson, T.N.Graf, S.Xiang, S.Jaramillo-Busquets, K.V.Rajagopalan, C.Kisker. Structural Insights Into Sulfite Oxidase Deficiency J.Biol.Chem. V. 280 33506 2005.
ISSN: ISSN 0021-9258
PubMed: 16048997
DOI: 10.1074/JBC.M505035200