Calcium in PDB 6p73: Cytochrome-C-Nitrite Reductase

Enzymatic activity of Cytochrome-C-Nitrite Reductase

All present enzymatic activity of Cytochrome-C-Nitrite Reductase:
1.7.2.2;

Protein crystallography data

The structure of Cytochrome-C-Nitrite Reductase, PDB code: 6p73 was solved by M.Schmidt, A.Pacheco, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.78 / 1.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.180, 96.070, 222.600, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 21.2

Other elements in 6p73:

The structure of Cytochrome-C-Nitrite Reductase also contains other interesting chemical elements:

Iron (Fe) 10 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Cytochrome-C-Nitrite Reductase (pdb code 6p73). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Cytochrome-C-Nitrite Reductase, PDB code: 6p73:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 6p73

Go back to Calcium Binding Sites List in 6p73
Calcium binding site 1 out of 2 in the Cytochrome-C-Nitrite Reductase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Cytochrome-C-Nitrite Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca506

b:20.5
occ:1.00
O A:TYR206 2.4 12.7 1.0
O A:LYS254 2.4 12.8 1.0
OE2 A:GLU205 2.4 15.1 1.0
O A:HOH687 2.5 18.0 1.0
OE1 A:GLU205 2.6 13.4 1.0
OE1 A:GLN256 2.6 22.5 1.0
O A:HOH844 2.6 22.0 1.0
CD A:GLU205 2.8 15.1 1.0
C A:LYS254 3.6 13.8 1.0
C A:TYR206 3.6 13.4 1.0
CD A:GLN256 3.7 22.2 1.0
OH A:TYR235 3.8 13.1 1.0
N A:TYR206 4.1 13.6 1.0
NE2 A:GLN256 4.1 22.9 1.0
CA A:ALA255 4.2 13.5 1.0
OD2 A:ASP242 4.3 16.9 1.0
CG A:GLU205 4.3 16.3 1.0
N A:ALA255 4.3 12.6 1.0
N A:GLN256 4.4 14.3 1.0
C A:ALA255 4.5 15.0 1.0
N A:TYR207 4.5 13.4 1.0
CA A:TYR206 4.5 12.7 1.0
CA A:TYR207 4.6 13.5 1.0
CB A:TYR207 4.6 14.0 1.0
CA A:LYS254 4.6 14.0 1.0
CZ A:TYR235 4.7 12.9 1.0
CB A:LYS254 4.8 13.6 1.0
OD1 A:ASP242 4.9 21.3 1.0
N A:LYS254 4.9 12.6 1.0
CZ3 A:TRP372 4.9 12.4 1.0
CG A:GLN256 4.9 18.5 1.0
CG A:ASP242 4.9 17.9 1.0

Calcium binding site 2 out of 2 in 6p73

Go back to Calcium Binding Sites List in 6p73
Calcium binding site 2 out of 2 in the Cytochrome-C-Nitrite Reductase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Cytochrome-C-Nitrite Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca506

b:20.3
occ:1.00
O B:LYS254 2.4 11.1 1.0
O B:TYR206 2.4 9.3 1.0
O B:HOH938 2.4 21.1 1.0
OE2 B:GLU205 2.5 13.3 1.0
O B:HOH677 2.5 16.1 1.0
OE1 B:GLU205 2.5 12.3 1.0
OE1 B:GLN256 2.6 24.1 1.0
CD B:GLU205 2.8 14.7 1.0
C B:LYS254 3.6 13.6 1.0
C B:TYR206 3.6 11.4 1.0
CD B:GLN256 3.7 23.1 1.0
OH B:TYR235 3.8 11.7 1.0
N B:TYR206 4.1 9.3 1.0
CA B:ALA255 4.2 12.2 1.0
OD2 B:ASP242 4.2 12.7 1.0
NE2 B:GLN256 4.3 21.0 1.0
CG B:GLU205 4.3 13.1 1.0
N B:ALA255 4.3 12.6 1.0
N B:GLN256 4.4 13.3 1.0
C B:ALA255 4.5 14.4 1.0
N B:TYR207 4.5 8.7 1.0
CA B:TYR206 4.5 12.4 1.0
CB B:TYR207 4.6 9.1 1.0
CA B:TYR207 4.6 9.5 1.0
CA B:LYS254 4.6 12.3 1.0
OD1 B:ASP242 4.7 17.4 1.0
CZ B:TYR235 4.7 11.6 1.0
CB B:LYS254 4.8 13.1 1.0
CZ3 B:TRP372 4.8 10.8 1.0
CG B:ASP242 4.8 15.2 1.0
N B:LYS254 4.8 15.2 1.0
CB B:GLN256 4.9 13.9 1.0
CG B:GLN256 4.9 16.6 1.0

Reference:

M.Ali, N.Stein, Y.Mao, S.Shahid, M.Schmidt, B.Bennett, A.A.Pacheco. Trapping of A Putative Intermediate in the Cytochromecnitrite Reductase (Ccnir)-Catalyzed Reduction of Nitrite: Implications For the Ccnir Reaction Mechanism. J.Am.Chem.Soc. V. 141 13358 2019.
ISSN: ESSN 1520-5126
PubMed: 31381304
DOI: 10.1021/JACS.9B03036
Page generated: Sat Dec 12 07:24:53 2020

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