Calcium in PDB 3ayf: Crystal Structure of Nitric Oxide Reductase

The structure of Crystal Structure of Nitric Oxide Reductase, PDB code: 3ayf 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)	19.78 / 2.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	110.409, 149.648, 151.108, 90.00, 90.00, 90.00
R / Rfree (%)	24.4 / 28.2

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

Iron	(Fe)	2 atoms
Zinc	(Zn)	1 atom

The binding sites of Calcium atom in the Crystal Structure of Nitric Oxide Reductase (pdb code 3ayf). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of Nitric Oxide Reductase, PDB code: 3ayf:

Calcium binding site 1 out of 1 in the Crystal Structure of Nitric Oxide Reductase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Nitric Oxide Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca804 b:49.4 occ:1.00 O A:GLY91 2.6 51.5 1.0 O A:HOH979 2.6 47.9 1.0 O2A A:HEM802 2.6 40.4 1.0 OE2 A:GLU429 2.6 51.0 1.0 OE1 A:GLU429 2.7 52.8 1.0 O2D A:HEM801 2.7 49.4 1.0 OH A:TYR93 2.7 46.7 1.0 CD A:GLU429 3.0 51.9 1.0 O1A A:HEM802 3.2 42.3 1.0 CGA A:HEM802 3.2 43.9 1.0 CGD A:HEM801 3.3 43.8 1.0 CZ A:TYR93 3.4 49.4 1.0 C A:GLY91 3.5 50.0 1.0 O1D A:HEM801 3.5 38.3 1.0 N A:GLY91 4.0 48.6 1.0 CE1 A:TYR93 4.0 46.7 1.0 CA A:GLY91 4.1 48.7 1.0 CE2 A:TYR93 4.2 48.8 1.0 O A:HOH915 4.2 46.2 1.0 NZ A:LYS352 4.3 45.4 1.0 N A:SER92 4.4 50.0 1.0 CG A:GLU429 4.5 52.3 1.0 CE2 A:TYR430 4.5 44.6 1.0 CBD A:HEM801 4.5 40.4 1.0 OH A:TYR430 4.6 43.1 1.0 CBA A:HEM802 4.7 42.2 1.0 CA A:SER92 4.7 46.9 1.0 O A:HOH980 4.7 42.6 1.0 CAD A:HEM801 5.0 43.8 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