Molybdenum in PDB 3hbp: The Crystal Structure of C185S Mutant of Recombinant Sulfite Oxidase with Bound Substrate, Sulfite, at the Active Site

The structure of The Crystal Structure of C185S Mutant of Recombinant Sulfite Oxidase with Bound Substrate, Sulfite, at the Active Site, PDB code: 3hbp was solved by J.A.Qiu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.62 / 2.40
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	86.284, 86.284, 152.339, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 20.2

The binding sites of Molybdenum atom in the The Crystal Structure of C185S Mutant of Recombinant Sulfite Oxidase with Bound Substrate, Sulfite, at the Active Site (pdb code 3hbp). 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 The Crystal Structure of C185S Mutant of Recombinant Sulfite Oxidase with Bound Substrate, Sulfite, at the Active Site, PDB code: 3hbp:

Molybdenum binding site 1 out of 1 in the The Crystal Structure of C185S Mutant of Recombinant Sulfite Oxidase with Bound Substrate, Sulfite, 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 The Crystal Structure of C185S Mutant of Recombinant Sulfite Oxidase with Bound Substrate, Sulfite, at the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo502 b:36.8 occ:1.00 MO1 A:MOM502 0.0 36.8 1.0 OM1 A:MOM502 1.7 17.7 1.0 OM2 A:MOM502 1.7 19.4 1.0 OM3 A:MOM502 1.7 16.4 0.5 S1' A:MTE501 2.3 26.5 1.0 S2' A:MTE501 2.4 27.4 1.0 C1' A:MTE501 3.3 27.6 1.0 C2' A:MTE501 3.3 28.8 1.0 OH A:TYR322 3.5 20.6 1.0 OG A:SER185 3.6 18.3 1.0 CB A:SER185 3.8 14.7 1.0 CZ A:TYR322 3.8 21.9 1.0 CG A:ARG138 3.9 20.7 1.0 CA A:SER185 3.9 14.3 1.0 CE1 A:TYR322 4.0 22.3 1.0 N A:ALA297 4.0 13.1 1.0 N A:ALA186 4.1 13.3 1.0 CA A:ALA297 4.3 13.4 1.0 CB A:ALA297 4.4 13.1 1.0 NE A:ARG138 4.4 25.4 1.0 C A:SER185 4.6 14.0 1.0 CE2 A:TYR322 4.6 21.8 1.0 CD A:ARG138 4.7 24.2 1.0 C6 A:MTE501 4.7 28.1 1.0 O2 A:SO31257 4.7 62.7 1.0 C A:GLY296 4.7 13.4 1.0 C3' A:MTE501 4.8 27.5 1.0 CB A:ARG138 4.9 17.3 1.0 CD1 A:TYR322 4.9 22.0 1.0

J.A.Qiu, H.L.Wilson, M.J.Pushie, C.Kisker, G.N.George, K.V.Rajagopalan. The Structures of the C185S and C185A Mutants of Sulfite Oxidase Reveal Rearrangement of the Active Site. Biochemistry V. 49 3989 2010.
ISSN: ISSN 0006-2960
PubMed: 20356030
DOI: 10.1021/BI1001954