Molybdenum in PDB 4pw3: Crystal Structure of the Sulfite Dehydrogenase Sort From Sinorhizobium Meliloti

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

The structure of Crystal Structure of the Sulfite Dehydrogenase Sort From Sinorhizobium Meliloti, PDB code: 4pw3 was solved by A.P.Mcgrath, M.J.Maher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.64 / 2.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	96.064, 92.225, 109.433, 90.00, 89.74, 90.00
R / Rfree (%)	20.8 / 24

The binding sites of Molybdenum atom in the Crystal Structure of the Sulfite Dehydrogenase Sort From Sinorhizobium Meliloti (pdb code 4pw3). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 4 binding sites of Molybdenum where determined in the Crystal Structure of the Sulfite Dehydrogenase Sort From Sinorhizobium Meliloti, PDB code: 4pw3:
Jump to Molybdenum binding site number: 1; 2; 3; 4;

Molybdenum binding site 1 out of 4 in the Crystal Structure of the Sulfite Dehydrogenase Sort 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 From Sinorhizobium Meliloti within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo401 b:33.3 occ:1.00 MOM1 A:MSS401 0.0 33.3 1.0 OM1 A:MSS401 1.7 31.5 1.0 O A:HOH602 1.9 36.4 1.0 SG A:CYS127 2.3 27.5 1.0 S2' A:MSS401 2.4 30.8 1.0 S1' A:MSS401 2.4 28.2 1.0 C1' A:MSS401 3.4 29.7 1.0 C2' A:MSS401 3.4 29.5 1.0 CB A:CYS127 3.5 25.7 1.0 CD A:ARG78 3.6 26.1 1.0 CA A:CYS127 3.7 25.9 1.0 NE A:ARG78 3.8 25.6 1.0 N A:SER128 3.9 26.7 1.0 N A:VAL242 4.0 26.3 1.0 CG A:ARG78 4.1 27.5 1.0 CE1 A:TYR267 4.2 29.4 1.0 OH A:TYR267 4.2 30.1 1.0 OG A:SER128 4.3 28.6 1.0 C A:CYS127 4.3 26.0 1.0 CB A:VAL242 4.4 26.1 1.0 CA A:VAL242 4.5 26.1 1.0 CB A:ARG78 4.6 28.7 1.0 CZ A:TYR267 4.6 29.4 1.0 C A:GLY241 4.7 26.3 1.0 C6 A:MSS401 4.8 29.6 1.0 C3' A:MSS401 4.8 29.2 1.0 CA A:GLY241 4.8 26.4 1.0 N A:GLY129 4.8 27.6 1.0 N A:CYS127 5.0 25.7 1.0

Molybdenum binding site 2 out of 4 in the Crystal Structure of the Sulfite Dehydrogenase Sort 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 From Sinorhizobium Meliloti within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo401 b:34.5 occ:1.00 MOM1 B:MSS401 0.0 34.5 1.0 OM1 B:MSS401 1.7 32.8 1.0 O B:HOH585 1.9 42.2 1.0 SG B:CYS127 2.3 27.8 1.0 S2' B:MSS401 2.4 32.3 1.0 S1' B:MSS401 2.4 32.0 1.0 C1' B:MSS401 3.4 31.8 1.0 C2' B:MSS401 3.4 31.8 1.0 CB B:CYS127 3.5 25.7 1.0 CD B:ARG78 3.6 26.2 1.0 NE B:ARG78 3.8 25.8 1.0 CA B:CYS127 3.8 25.9 1.0 N B:VAL242 4.0 26.3 1.0 N B:SER128 4.0 26.6 1.0 CG B:ARG78 4.1 27.6 1.0 OH B:TYR267 4.2 30.1 1.0 CE1 B:TYR267 4.2 29.4 1.0 OG B:SER128 4.3 28.6 1.0 CB B:VAL242 4.4 26.1 1.0 CA B:VAL242 4.4 26.1 1.0 C B:CYS127 4.4 26.1 1.0 CZ B:TYR267 4.6 29.4 1.0 CB B:ARG78 4.6 28.6 1.0 O B:HOH575 4.7 24.2 1.0 C B:GLY241 4.7 26.2 1.0 C6 B:MSS401 4.8 31.5 1.0 C3' B:MSS401 4.8 31.4 1.0 CA B:GLY241 4.8 26.4 1.0 N B:GLY129 5.0 27.7 1.0

Molybdenum binding site 3 out of 4 in the Crystal Structure of the Sulfite Dehydrogenase Sort From Sinorhizobium Meliloti


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 3 of Crystal Structure of the Sulfite Dehydrogenase Sort From Sinorhizobium Meliloti within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo401 b:38.4 occ:1.00 MOM1 C:MSS401 0.0 38.4 1.0 OM1 C:MSS401 1.7 38.2 1.0 O C:HOH603 2.0 36.4 1.0 SG C:CYS127 2.4 27.6 1.0 S2' C:MSS401 2.4 37.4 1.0 S1' C:MSS401 2.4 37.3 1.0 C2' C:MSS401 3.4 35.5 1.0 C1' C:MSS401 3.4 35.9 1.0 CD C:ARG78 3.5 26.1 1.0 CB C:CYS127 3.6 25.7 1.0 NE C:ARG78 3.6 25.7 1.0 CA C:CYS127 3.9 26.0 1.0 CG C:ARG78 4.0 27.6 1.0 OH C:TYR267 4.1 30.1 1.0 N C:SER128 4.1 26.7 1.0 N C:VAL242 4.1 26.3 1.0 CE1 C:TYR267 4.2 29.4 1.0 OG C:SER128 4.4 28.6 1.0 CB C:VAL242 4.5 26.1 1.0 CA C:VAL242 4.5 26.1 1.0 CB C:ARG78 4.5 28.7 1.0 C C:CYS127 4.5 26.1 1.0 CZ C:TYR267 4.6 29.4 1.0 C6 C:MSS401 4.8 35.3 1.0 C C:GLY241 4.8 26.3 1.0 C3' C:MSS401 4.8 34.3 1.0 CZ C:ARG78 4.9 26.2 1.0 CA C:GLY241 5.0 26.4 1.0 N C:GLY129 5.0 27.6 1.0

Molybdenum binding site 4 out of 4 in the Crystal Structure of the Sulfite Dehydrogenase Sort From Sinorhizobium Meliloti


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 4 of Crystal Structure of the Sulfite Dehydrogenase Sort From Sinorhizobium Meliloti within 5.0Å range: probe atom residue distance (Å) B Occ D:Mo401 b:35.0 occ:1.00 MOM1 D:MSS401 0.0 35.0 1.0 OM1 D:MSS401 1.7 34.4 1.0 O D:HOH586 2.0 38.5 1.0 SG D:CYS127 2.3 27.6 1.0 S2' D:MSS401 2.4 33.0 1.0 S1' D:MSS401 2.4 31.6 1.0 C2' D:MSS401 3.4 32.8 1.0 C1' D:MSS401 3.4 33.0 1.0 CB D:CYS127 3.5 25.7 1.0 CD D:ARG78 3.5 26.2 1.0 NE D:ARG78 3.7 25.7 1.0 CA D:CYS127 3.8 26.0 1.0 N D:SER128 4.0 26.7 1.0 CG D:ARG78 4.0 27.5 1.0 N D:VAL242 4.1 26.3 1.0 OH D:TYR267 4.2 30.1 1.0 CE1 D:TYR267 4.2 29.4 1.0 OG D:SER128 4.4 28.7 1.0 C D:CYS127 4.4 26.1 1.0 CB D:VAL242 4.5 26.0 1.0 CA D:VAL242 4.5 26.1 1.0 CB D:ARG78 4.5 28.6 1.0 O D:HOH577 4.6 18.3 1.0 CZ D:TYR267 4.6 29.3 1.0 C D:GLY241 4.8 26.2 1.0 C6 D:MSS401 4.8 32.4 1.0 C3' D:MSS401 4.8 32.3 1.0 CA D:GLY241 4.9 26.3 1.0 N D:GLY129 4.9 27.7 1.0 CZ D:ARG78 5.0 26.2 1.0

A.P.Mcgrath, E.L.Laming, G.P.Casas Garcia, M.Kvansakul, J.M.Guss, J.Trewhella, B.Calmes, P.V.Bernhardt, G.R.Hanson, U.Kappler, M.J.Maher. Structural Basis of Interprotein Electron Transfer in Bacterial Sulfite Oxidation. Elife V. 4 09066 2015.
ISSN: ESSN 2050-084X
PubMed: 26687009
DOI: 10.7554/ELIFE.09066