Molybdenum in PDB 3r18: Chicken Sulfite Oxidase Double Mutant with Altered Activity and Substrate Affinity

All present enzymatic activity of Chicken Sulfite Oxidase Double Mutant with Altered Activity and Substrate Affinity:
1.8.3.1;

The structure of Chicken Sulfite Oxidase Double Mutant with Altered Activity and Substrate Affinity, PDB code: 3r18 was solved by J.A.Qiu, H.L.Wilson, K.V.Rajagopalan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.51 / 2.40
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	85.623, 85.623, 153.371, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 20.7

The binding sites of Molybdenum atom in the Chicken Sulfite Oxidase Double Mutant with Altered Activity and Substrate Affinity (pdb code 3r18). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total only one binding site of Molybdenum was determined in the Chicken Sulfite Oxidase Double Mutant with Altered Activity and Substrate Affinity, PDB code: 3r18:

Molybdenum binding site 1 out of 1 in the Chicken Sulfite Oxidase Double Mutant with Altered Activity and Substrate Affinity


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Chicken Sulfite Oxidase Double Mutant with Altered Activity and Substrate Affinity within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo1501 b:28.8 occ:1.00 O A:HOH2501 1.7 23.4 1.0 O A:HOH467 2.0 17.4 1.0 S1' A:MTE501 2.3 23.1 1.0 S2' A:MTE501 2.4 24.0 1.0 SG A:CYS185 2.5 26.4 1.0 C1' A:MTE501 3.3 23.0 1.0 C2' A:MTE501 3.3 23.5 1.0 CB A:CYS185 3.5 23.7 1.0 CA A:CYS185 3.7 23.2 1.0 N A:ALA186 4.0 23.0 1.0 N A:ALA297 4.0 23.6 1.0 NE A:ARG138 4.3 29.1 1.0 CD A:ARG138 4.3 26.8 1.0 C A:CYS185 4.3 23.5 1.0 CG A:ARG138 4.3 25.8 1.0 ND2 A:ASN322 4.4 29.3 1.0 CA A:ALA297 4.4 23.8 1.0 CB A:ALA297 4.5 23.2 1.0 C A:GLY296 4.7 23.8 1.0 C6 A:MTE501 4.7 24.1 1.0 C3' A:MTE501 4.8 23.6 1.0 OD1 A:ASN322 4.8 32.8 1.0 O A:HOH468 4.9 2.0 1.0 CA A:GLY296 4.9 23.2 1.0 CG A:ASN322 4.9 31.4 1.0 N A:CYS185 5.0 22.9 1.0

J.A.Qiu, H.L.Wilson, K.V.Rajagopalan. Structure-Based Alteration of Substrate Specificity and Catalytic Activity of Sulfite Oxidase From Sulfite Oxidation to Nitrate Reduction. Biochemistry V. 51 1134 2012.
ISSN: ISSN 0006-2960
PubMed: 22263579
DOI: 10.1021/BI201206V