Iron in PDB 4yof: Doss Gafa Domain Reduced Nitric Oxide Bound Crystal Structure

All present enzymatic activity of Doss Gafa Domain Reduced Nitric Oxide Bound Crystal Structure:
2.7.13.3;

The structure of Doss Gafa Domain Reduced Nitric Oxide Bound Crystal Structure, PDB code: 4yof was solved by Y.Madrona, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.14 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.593, 78.847, 110.645, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 22.4

The binding sites of Iron atom in the Doss Gafa Domain Reduced Nitric Oxide Bound Crystal Structure (pdb code 4yof). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Doss Gafa Domain Reduced Nitric Oxide Bound Crystal Structure, PDB code: 4yof:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Doss Gafa Domain Reduced Nitric Oxide Bound Crystal Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Doss Gafa Domain Reduced Nitric Oxide Bound Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:21.2 occ:1.00 FE A:HEM301 0.0 21.2 1.0 N A:NO302 1.7 30.8 1.0 NB A:HEM301 2.0 18.4 1.0 NC A:HEM301 2.1 22.6 1.0 NA A:HEM301 2.1 20.4 1.0 NE2 A:HIS149 2.1 19.4 1.0 ND A:HEM301 2.1 23.6 1.0 O A:NO302 2.8 37.7 1.0 CD2 A:HIS149 3.0 22.6 1.0 C1B A:HEM301 3.0 23.6 1.0 C4B A:HEM301 3.0 24.7 1.0 C4A A:HEM301 3.0 24.1 1.0 C1C A:HEM301 3.1 28.1 1.0 C4C A:HEM301 3.1 26.4 1.0 C1A A:HEM301 3.1 27.8 1.0 C1D A:HEM301 3.1 25.2 1.0 C4D A:HEM301 3.1 27.0 1.0 CE1 A:HIS149 3.1 23.6 1.0 CHC A:HEM301 3.4 22.8 1.0 CHB A:HEM301 3.4 23.3 1.0 CHD A:HEM301 3.4 21.0 1.0 CHA A:HEM301 3.4 22.4 1.0 CG A:HIS149 4.2 22.2 1.0 ND1 A:HIS149 4.2 24.2 1.0 O A:HOH432 4.2 39.8 1.0 C3A A:HEM301 4.3 27.6 1.0 C2A A:HEM301 4.3 28.7 1.0 C2B A:HEM301 4.3 21.8 1.0 C3B A:HEM301 4.3 20.5 1.0 C3C A:HEM301 4.3 22.0 1.0 C2C A:HEM301 4.3 26.1 1.0 C3D A:HEM301 4.3 24.5 1.0 C2D A:HEM301 4.3 22.0 1.0

Iron binding site 2 out of 2 in the Doss Gafa Domain Reduced Nitric Oxide Bound Crystal Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Doss Gafa Domain Reduced Nitric Oxide Bound Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:27.1 occ:1.00 FE B:HEM301 0.0 27.1 1.0 N B:NO302 1.7 29.3 1.0 NB B:HEM301 2.0 22.8 1.0 NC B:HEM301 2.0 25.7 1.0 NE2 B:HIS149 2.1 25.1 1.0 ND B:HEM301 2.1 28.6 1.0 NA B:HEM301 2.1 31.9 1.0 O B:NO302 2.8 44.4 1.0 CD2 B:HIS149 3.0 33.5 1.0 C4B B:HEM301 3.0 26.9 1.0 C1C B:HEM301 3.0 27.0 1.0 C4C B:HEM301 3.1 29.8 1.0 C1B B:HEM301 3.1 25.3 1.0 C1D B:HEM301 3.1 32.5 1.0 C4A B:HEM301 3.1 30.0 1.0 C1A B:HEM301 3.1 38.5 1.0 C4D B:HEM301 3.1 40.6 1.0 CE1 B:HIS149 3.1 29.4 1.0 CHC B:HEM301 3.4 25.3 1.0 CHD B:HEM301 3.4 30.2 1.0 CHB B:HEM301 3.5 28.7 1.0 CHA B:HEM301 3.5 37.2 1.0 CG B:HIS149 4.2 32.7 1.0 ND1 B:HIS149 4.2 27.5 1.0 C3B B:HEM301 4.3 23.4 1.0 C2C B:HEM301 4.3 26.6 1.0 C3C B:HEM301 4.3 28.8 1.0 C2B B:HEM301 4.3 24.0 1.0 C2D B:HEM301 4.3 34.8 1.0 C3A B:HEM301 4.3 34.7 1.0 C2A B:HEM301 4.4 43.9 1.0 C3D B:HEM301 4.4 37.4 1.0

D.Basudhar, Y.Madrona, E.T.Yukl, S.Sivaramakrishnan, C.R.Nishida, P.Moenne-Loccoz, P.R.Ortiz De Montellano. Distal Hydrogen-Bonding Interactions in Ligand Sensing and Signaling By Mycobacterium Tuberculosis Doss. J.Biol.Chem. V. 291 16100 2016.
ISSN: ESSN 1083-351X
PubMed: 27235395
DOI: 10.1074/JBC.M116.724815