Calcium in PDB 7aqa: Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H382A

All present enzymatic activity of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H382A:
1.7.2.4;

The structure of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H382A, PDB code: 7aqa was solved by L.Zhang, E.Bill, P.M.H.Kroneck, O.Einsle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.67 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	68.824, 76.834, 108.513, 90, 93.47, 90
R / Rfree (%)	15.6 / 19.4

The structure of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H382A also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Potassium	(K)	2 atoms
Copper	(Cu)	11 atoms
Chlorine	(Cl)	3 atoms

The binding sites of Calcium atom in the Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H382A (pdb code 7aqa). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H382A, PDB code: 7aqa:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H382A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H382A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca704 b:18.8 occ:0.61 OE2 A:GLU259 2.3 35.2 1.0 O A:TYR256 2.4 26.2 1.0 O A:MET267 2.4 33.7 1.0 OD1 A:ASP273 2.4 30.6 1.0 OD1 A:ASN324 2.5 28.2 1.0 OD2 A:ASP273 2.6 32.6 1.0 OE1 A:GLU259 2.6 28.1 1.0 O A:HOH814 2.6 28.4 1.0 CD A:GLU259 2.8 37.2 1.0 CG A:ASP273 2.8 33.7 1.0 CG A:ASN324 3.4 24.0 1.0 C A:TYR256 3.5 29.1 1.0 C A:MET267 3.5 34.5 1.0 ND2 A:ASN324 3.9 22.6 1.0 N A:ASN257 4.3 26.9 1.0 CA A:MET268 4.3 37.2 1.0 N A:MET268 4.3 31.6 1.0 CA A:TYR256 4.3 26.5 1.0 CA A:ASN257 4.3 29.4 1.0 CG A:GLU259 4.4 31.8 1.0 CB A:ASP273 4.4 26.9 1.0 N A:SER258 4.4 27.8 1.0 OG A:SER258 4.4 32.6 1.0 CA A:MET267 4.5 31.7 1.0 N A:ASN324 4.5 20.6 1.0 CB A:ASN324 4.6 24.7 1.0 CA A:ASN324 4.6 25.4 1.0 O A:ASN270 4.7 31.1 1.0 C A:MET268 4.7 40.8 1.0 N A:ASN270 4.8 30.1 1.0 C A:ASN257 4.8 31.1 1.0 CB A:ASN270 4.8 33.3 1.0 N A:ARG269 4.9 39.0 1.0 CB A:TYR256 4.9 22.4 1.0

Calcium binding site 2 out of 2 in the Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H382A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H382A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca704 b:19.8 occ:0.72 O B:HOH808 2.2 29.1 1.0 O B:TYR256 2.3 28.7 1.0 O B:MET267 2.4 32.2 1.0 OE1 B:GLU259 2.5 30.3 1.0 OD1 B:ASN324 2.5 30.4 1.0 OD1 B:ASP273 2.5 29.1 1.0 OE2 B:GLU259 2.5 33.3 1.0 OD2 B:ASP273 2.8 25.6 1.0 CD B:GLU259 2.8 34.1 1.0 CG B:ASP273 3.0 29.1 1.0 C B:TYR256 3.4 24.9 1.0 CG B:ASN324 3.4 30.1 1.0 C B:MET267 3.5 30.9 1.0 ND2 B:ASN324 3.8 29.0 1.0 N B:ASN257 4.2 33.6 1.0 CA B:ASN257 4.2 29.6 1.0 CA B:TYR256 4.3 20.8 1.0 CG B:GLU259 4.3 31.2 1.0 N B:MET268 4.4 30.9 1.0 CA B:MET268 4.4 34.1 1.0 N B:SER258 4.4 31.7 1.0 OG B:SER258 4.4 34.5 1.0 CA B:MET267 4.4 30.3 1.0 CB B:ASP273 4.5 28.5 1.0 CB B:ASN324 4.6 28.2 1.0 N B:ASN324 4.7 25.4 1.0 CA B:ASN324 4.7 21.6 1.0 C B:MET268 4.7 37.8 1.0 O B:ASN270 4.7 34.9 1.0 C B:ASN257 4.8 32.2 1.0 N B:ARG269 4.8 39.5 1.0 N B:ASN270 4.9 30.7 1.0 CB B:TYR256 4.9 22.7 1.0 CB B:ASN270 4.9 35.6 1.0

L.Zhang, E.Bill, P.M.H.Kroneck, O.Einsle. A [3CU:2S] Cluster Provides Insight Into the Assembly and Function of the Cuz Site of Nitrous Oxide Reductase Chem Sci 2021.
ISSN: ESSN 2041-6539
DOI: 10.1039/D0SC05204C