Iron in PDB 3ayg: Crystal Structure of Nitric Oxide Reductase Complex with Hqno

The structure of Crystal Structure of Nitric Oxide Reductase Complex with Hqno, PDB code: 3ayg was solved by Y.Matsumoto, T.Tosha, A.V.Pisliakov, T.Hino, H.Sugimoti, S.Nagano, Y.Sugita, Y.Shiro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.60 / 2.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	110.516, 149.089, 151.590, 90.00, 90.00, 90.00
R / Rfree (%)	23.6 / 26.7

The structure of Crystal Structure of Nitric Oxide Reductase Complex with Hqno also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Iron atom in the Crystal Structure of Nitric Oxide Reductase Complex with Hqno (pdb code 3ayg). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Nitric Oxide Reductase Complex with Hqno, PDB code: 3ayg:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Nitric Oxide Reductase Complex with Hqno


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Nitric Oxide Reductase Complex with Hqno within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:51.5 occ:1.00 FE A:HEM801 0.0 51.5 1.0 ND A:HEM801 1.9 52.1 1.0 NE2 A:HIS355 2.0 58.8 1.0 NB A:HEM801 2.1 54.2 1.0 NA A:HEM801 2.1 51.6 1.0 NC A:HEM801 2.1 50.4 1.0 NE2 A:HIS653 2.3 50.5 1.0 CD2 A:HIS355 3.0 59.1 1.0 C4D A:HEM801 3.0 50.9 1.0 C1D A:HEM801 3.0 50.0 1.0 CE1 A:HIS355 3.0 58.6 1.0 CD2 A:HIS653 3.1 47.0 1.0 C1A A:HEM801 3.1 53.6 1.0 C1B A:HEM801 3.1 53.2 1.0 C4A A:HEM801 3.1 53.6 1.0 C4C A:HEM801 3.1 52.0 1.0 C4B A:HEM801 3.2 54.0 1.0 C1C A:HEM801 3.2 52.4 1.0 CE1 A:HIS653 3.3 49.7 1.0 CHA A:HEM801 3.4 52.7 1.0 CHD A:HEM801 3.4 49.8 1.0 CHB A:HEM801 3.5 53.0 1.0 CHC A:HEM801 3.5 53.3 1.0 CG A:HIS355 4.1 60.4 1.0 ND1 A:HIS355 4.1 60.9 1.0 C3D A:HEM801 4.2 49.5 1.0 C2D A:HEM801 4.2 49.1 1.0 CG A:HIS653 4.3 47.4 1.0 ND1 A:HIS653 4.4 48.0 1.0 C3A A:HEM801 4.4 54.6 1.0 C2B A:HEM801 4.4 54.1 1.0 C2A A:HEM801 4.4 54.8 1.0 C3B A:HEM801 4.4 54.1 1.0 C2C A:HEM801 4.4 51.2 1.0 C3C A:HEM801 4.4 52.4 1.0 NE2 A:GLN319 4.7 52.6 1.0 CA A:GLY323 5.0 57.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Nitric Oxide Reductase Complex with Hqno


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Nitric Oxide Reductase Complex with Hqno within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe802 b:45.0 occ:1.00 FE A:HEM802 0.0 45.0 1.0 NB A:HEM802 2.0 33.7 1.0 ND A:HEM802 2.0 41.1 1.0 NA A:HEM802 2.1 39.0 1.0 NC A:HEM802 2.1 40.6 1.0 NE2 A:HIS651 2.2 46.9 1.0 O A:HOH978 2.7 43.8 1.0 C1B A:HEM802 3.0 37.6 1.0 C1D A:HEM802 3.0 42.5 1.0 C4D A:HEM802 3.1 42.8 1.0 C4A A:HEM802 3.1 40.3 1.0 C4B A:HEM802 3.1 39.1 1.0 C1A A:HEM802 3.1 42.1 1.0 CE1 A:HIS651 3.1 45.6 1.0 C1C A:HEM802 3.2 42.0 1.0 C4C A:HEM802 3.2 42.1 1.0 CD2 A:HIS651 3.2 45.3 1.0 CHB A:HEM802 3.4 38.4 1.0 CHA A:HEM802 3.4 41.9 1.0 CHD A:HEM802 3.5 42.2 1.0 CHC A:HEM802 3.5 40.7 1.0 O A:HOH929 3.8 55.6 1.0 ND1 A:HIS651 4.3 48.2 1.0 C2D A:HEM802 4.3 44.6 1.0 C2B A:HEM802 4.3 37.2 1.0 C3D A:HEM802 4.3 45.0 1.0 C3B A:HEM802 4.3 38.4 1.0 CG A:HIS651 4.3 47.4 1.0 C3A A:HEM802 4.3 40.3 1.0 C2A A:HEM802 4.4 41.2 1.0 C2C A:HEM802 4.4 40.1 1.0 C3C A:HEM802 4.4 42.7 1.0 ZN A:ZN803 4.5 65.4 1.0

Y.Matsumoto, T.Tosha, A.V.Pisliakov, T.Hino, H.Sugimoto, S.Nagano, Y.Sugita, Y.Shiro. Crystal Structure of Quinol-Dependent Nitric Oxide Reductase From Geobacillus Stearothermophilus. Nat.Struct.Mol.Biol. V. 19 238 2012.
ISSN: ISSN 1545-9993
PubMed: 22266822
DOI: 10.1038/NSMB.2213