Iron in PDB 2c9x: Sulfite Dehydrogenase From Starkeya Novella Y236F Mutant

The structure of Sulfite Dehydrogenase From Starkeya Novella Y236F Mutant, PDB code: 2c9x was solved by S.Bailey, U.Kappler, C.Feng, M.J.Honeychurch, P.Bernhardt, G.Tollin, J.Enemark, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.8
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	97.323, 93.214, 56.136, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 20.9

The structure of Sulfite Dehydrogenase From Starkeya Novella Y236F Mutant also contains other interesting chemical elements:

Molybdenum

(Mo)

1 atom

The binding sites of Iron atom in the Sulfite Dehydrogenase From Starkeya Novella Y236F Mutant (pdb code 2c9x). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Sulfite Dehydrogenase From Starkeya Novella Y236F Mutant, PDB code: 2c9x:

Iron binding site 1 out of 1 in the Sulfite Dehydrogenase From Starkeya Novella Y236F Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Sulfite Dehydrogenase From Starkeya Novella Y236F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1582 b:14.3 occ:1.00 FE B:HEC1582 0.0 14.3 1.0 NB B:HEC1582 2.1 16.3 1.0 NE2 B:HIS533 2.1 10.7 1.0 NC B:HEC1582 2.1 11.8 1.0 ND B:HEC1582 2.1 17.4 1.0 NA B:HEC1582 2.1 18.1 1.0 SD B:MET557 2.4 14.3 1.0 CD2 B:HIS533 3.0 10.6 1.0 C4B B:HEC1582 3.0 14.4 1.0 C1B B:HEC1582 3.1 13.2 1.0 C4D B:HEC1582 3.1 16.2 1.0 CE1 B:HIS533 3.1 10.0 1.0 C1C B:HEC1582 3.1 15.8 1.0 C4C B:HEC1582 3.1 23.2 1.0 C4A B:HEC1582 3.1 12.6 1.0 C1D B:HEC1582 3.1 16.3 1.0 C1A B:HEC1582 3.2 12.2 1.0 CHC B:HEC1582 3.4 9.4 1.0 CE B:MET557 3.4 13.7 1.0 CHA B:HEC1582 3.5 10.7 1.0 CHD B:HEC1582 3.5 16.8 1.0 CHB B:HEC1582 3.5 12.7 1.0 CG B:MET557 3.5 16.7 1.0 CG B:HIS533 4.2 10.1 1.0 ND1 B:HIS533 4.2 8.6 1.0 C3B B:HEC1582 4.2 12.1 1.0 C2B B:HEC1582 4.3 17.1 1.0 C3C B:HEC1582 4.3 13.2 1.0 C3D B:HEC1582 4.3 12.6 1.0 C2C B:HEC1582 4.3 10.7 1.0 C3A B:HEC1582 4.4 14.3 1.0 C2D B:HEC1582 4.4 13.1 1.0 C2A B:HEC1582 4.4 12.2 1.0 CB B:MET557 4.5 19.1 1.0 O B:HOH2048 4.6 9.2 1.0

U.Kappler, S.Bailey, C.Feng, M.J.Honeychurch, G.R.Hanson, P.Bernhardt, G.Tollin, J.Enemark. Kinetic and Structural Evidence For the Importance of TYR236 For the Integrity of the Mo Active Site in A Bacterial Sulfite Dehydrogenase. Biochemistry V. 45 9696 2006.
ISSN: ISSN 0006-2960
PubMed: 16893171
DOI: 10.1021/BI060058B