Calcium 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:

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

The binding sites of Calcium 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 Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of Nitric Oxide Reductase Complex with Hqno, PDB code: 3ayg:

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


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 Complex with Hqno within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca804 b:49.2 occ:1.00 O A:GLY91 2.5 54.6 1.0 O A:HOH979 2.5 44.0 1.0 O2A A:HEM802 2.6 37.9 1.0 OE1 A:GLU429 2.7 62.1 1.0 OE2 A:GLU429 2.7 59.2 1.0 OH A:TYR93 2.7 51.6 1.0 O2D A:HEM801 2.8 50.0 1.0 CD A:GLU429 3.0 59.8 1.0 O1A A:HEM802 3.1 38.7 1.0 CGA A:HEM802 3.2 43.2 1.0 CGD A:HEM801 3.4 47.0 1.0 CZ A:TYR93 3.4 55.2 1.0 C A:GLY91 3.4 56.3 1.0 O1D A:HEM801 3.6 45.1 1.0 N A:GLY91 3.9 54.9 1.0 CA A:GLY91 4.0 56.2 1.0 CE1 A:TYR93 4.1 54.4 1.0 O A:HOH915 4.1 44.9 1.0 CE2 A:TYR93 4.2 54.7 1.0 NZ A:LYS352 4.5 49.6 1.0 N A:SER92 4.5 57.0 1.0 CG A:GLU429 4.5 58.9 1.0 CE2 A:TYR430 4.6 52.1 1.0 CBD A:HEM801 4.6 45.7 1.0 CBA A:HEM802 4.6 41.9 1.0 OH A:TYR430 4.7 50.0 1.0 O A:HOH980 4.7 54.8 1.0 CA A:SER92 4.7 54.2 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