Molybdenum in PDB 5k3x: Crystal Structure of the Sulfite Dehydrogenase, Sort R78K Mutant From Sinorhizobium Meliloti

All present enzymatic activity of Crystal Structure of the Sulfite Dehydrogenase, Sort R78K Mutant From Sinorhizobium Meliloti:
1.8.3.1;

The structure of Crystal Structure of the Sulfite Dehydrogenase, Sort R78K Mutant From Sinorhizobium Meliloti, PDB code: 5k3x was solved by M.Lee, A.Mcgrath, M.Maher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.10 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.470, 95.720, 109.620, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 18

The binding sites of Molybdenum atom in the Crystal Structure of the Sulfite Dehydrogenase, Sort R78K Mutant From Sinorhizobium Meliloti (pdb code 5k3x). 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 the Sulfite Dehydrogenase, Sort R78K Mutant From Sinorhizobium Meliloti, PDB code: 5k3x:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Crystal Structure of the Sulfite Dehydrogenase, Sort R78K Mutant From Sinorhizobium Meliloti


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 the Sulfite Dehydrogenase, Sort R78K Mutant From Sinorhizobium Meliloti within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo401 b:13.2 occ:1.00 MOM1 A:MSS401 0.0 13.2 1.0 OM1 A:MSS401 1.8 10.9 1.0 O A:HOH517 2.1 16.9 1.0 S2' A:MSS401 2.3 12.5 1.0 S1' A:MSS401 2.4 12.5 1.0 SG A:CYS127 2.5 13.4 1.0 C2' A:MSS401 3.3 12.0 1.0 C1' A:MSS401 3.3 11.7 1.0 CB A:CYS127 3.5 12.1 1.0 CA A:CYS127 3.7 11.9 1.0 N A:SER128 3.9 12.6 1.0 OG A:SER128 4.0 14.4 1.0 N A:VAL242 4.0 10.7 1.0 CG A:LYS78 4.1 17.9 0.5 NZ A:LYS78 4.2 20.8 0.5 OH A:TYR267 4.2 13.7 1.0 CD A:LYS78 4.3 20.1 0.5 CE1 A:TYR267 4.3 12.9 1.0 O A:HOH726 4.3 18.9 1.0 C A:CYS127 4.3 12.1 1.0 CB A:VAL242 4.3 11.6 1.0 CA A:VAL242 4.5 11.1 1.0 CE A:LYS78 4.5 21.1 0.5 C A:GLY241 4.6 10.5 1.0 CZ A:TYR267 4.7 13.1 1.0 CG A:LYS78 4.7 19.3 0.5 C6 A:MSS401 4.7 11.6 1.0 C3' A:MSS401 4.7 11.6 1.0 CA A:GLY241 4.8 11.2 1.0 N A:GLY129 4.8 13.2 1.0 CA A:SER128 4.9 13.4 1.0 CB A:SER128 4.9 14.1 1.0 CB A:LYS78 4.9 17.1 0.5 N A:CYS127 5.0 11.7 1.0

Molybdenum binding site 2 out of 2 in the Crystal Structure of the Sulfite Dehydrogenase, Sort R78K Mutant From Sinorhizobium Meliloti


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 the Sulfite Dehydrogenase, Sort R78K Mutant From Sinorhizobium Meliloti within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo401 b:12.5 occ:1.00 MOM1 B:MSS401 0.0 12.5 1.0 OM1 B:MSS401 1.8 10.2 1.0 O B:HOH566 2.1 16.1 1.0 S2' B:MSS401 2.3 11.5 1.0 S1' B:MSS401 2.4 11.2 1.0 SG B:CYS127 2.5 12.0 1.0 C2' B:MSS401 3.3 11.2 1.0 C1' B:MSS401 3.3 10.8 1.0 CB B:CYS127 3.5 11.6 1.0 CA B:CYS127 3.7 11.2 1.0 N B:SER128 3.8 11.7 1.0 OG B:SER128 3.9 15.2 1.0 N B:VAL242 4.0 10.6 1.0 CG B:LYS78 4.2 14.5 0.5 OH B:TYR267 4.2 12.7 1.0 O B:HOH737 4.2 16.5 1.0 C B:CYS127 4.3 11.6 1.0 NZ B:LYS78 4.3 15.9 0.5 CE1 B:TYR267 4.3 12.8 1.0 CB B:VAL242 4.3 10.6 1.0 CD B:LYS78 4.3 17.3 0.5 CA B:VAL242 4.4 10.7 1.0 CE B:LYS78 4.5 17.5 0.5 C B:GLY241 4.6 10.4 1.0 CZ B:TYR267 4.7 13.0 1.0 CG B:LYS78 4.7 16.7 0.5 C3' B:MSS401 4.7 10.9 1.0 C6 B:MSS401 4.7 10.6 1.0 CA B:GLY241 4.8 11.6 1.0 CB B:SER128 4.8 13.0 1.0 N B:GLY129 4.8 12.2 1.0 CA B:SER128 4.9 12.5 1.0 CB B:LYS78 5.0 14.6 0.5 N B:CYS127 5.0 10.8 1.0

J.C.Hsiao, A.P.Mcgrath, L.Kielmann, P.Kalimuthu, F.Darain, P.V.Bernhardt, J.Harmer, M.Lee, K.Meyers, M.J.Maher, U.Kappler. The Central Active Site Arginine in Sulfite Oxidizing Enzymes Alters Kinetic Properties By Controlling Electron Transfer and Redox Interactions. Biochim. Biophys. Acta V.1859 19 2017.
ISSN: ISSN 0006-3002
PubMed: 28986298
DOI: 10.1016/J.BBABIO.2017.10.001