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Magnesium in PDB 5zcq: Azide-Bound Cytochrome C Oxidase Structure Determined Using the Crystals Exposed to 10 Mm Azide Solution For 2 Days

Enzymatic activity of Azide-Bound Cytochrome C Oxidase Structure Determined Using the Crystals Exposed to 10 Mm Azide Solution For 2 Days

All present enzymatic activity of Azide-Bound Cytochrome C Oxidase Structure Determined Using the Crystals Exposed to 10 Mm Azide Solution For 2 Days:
1.9.3.1;

Protein crystallography data

The structure of Azide-Bound Cytochrome C Oxidase Structure Determined Using the Crystals Exposed to 10 Mm Azide Solution For 2 Days, PDB code: 5zcq was solved by A.Shimada, K.Hatano, H.Tadehara, T.Tsukihara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 182.330, 204.832, 177.691, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 18.2

Other elements in 5zcq:

The structure of Azide-Bound Cytochrome C Oxidase Structure Determined Using the Crystals Exposed to 10 Mm Azide Solution For 2 Days also contains other interesting chemical elements:

Zinc (Zn) 2 atoms
Iron (Fe) 6 atoms
Copper (Cu) 6 atoms
Sodium (Na) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Azide-Bound Cytochrome C Oxidase Structure Determined Using the Crystals Exposed to 10 Mm Azide Solution For 2 Days (pdb code 5zcq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Azide-Bound Cytochrome C Oxidase Structure Determined Using the Crystals Exposed to 10 Mm Azide Solution For 2 Days, PDB code: 5zcq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 5zcq

Go back to Magnesium Binding Sites List in 5zcq
Magnesium binding site 1 out of 2 in the Azide-Bound Cytochrome C Oxidase Structure Determined Using the Crystals Exposed to 10 Mm Azide Solution For 2 Days


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Azide-Bound Cytochrome C Oxidase Structure Determined Using the Crystals Exposed to 10 Mm Azide Solution For 2 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg604

b:23.4
occ:1.00
OD2 A:ASP369 2.0 22.3 1.0
NE2 A:HIS368 2.1 20.0 1.0
OE1 B:GLU198 2.1 26.8 1.0
O B:HOH483 2.1 21.8 1.0
O A:HOH884 2.2 23.2 1.0
O B:HOH426 2.2 23.5 1.0
CD2 A:HIS368 3.1 21.6 1.0
CD B:GLU198 3.1 26.4 1.0
CE1 A:HIS368 3.1 20.7 1.0
CG A:ASP369 3.2 22.7 1.0
OE2 B:GLU198 3.4 29.4 1.0
O B:SER197 3.9 21.6 1.0
CB A:ASP369 3.9 22.9 1.0
O A:HOH883 4.0 22.6 1.0
OD1 A:ASP369 4.2 23.6 1.0
CG A:HIS368 4.2 21.0 1.0
ND1 A:HIS368 4.3 20.4 1.0
O A:HOH761 4.3 22.0 1.0
OD1 B:ASP173 4.3 22.2 1.0
OD2 B:ASP173 4.3 24.9 1.0
CG B:GLU198 4.4 22.8 1.0
OG1 A:THR294 4.4 22.9 1.0
O A:HOH720 4.5 21.8 1.0
O B:HOH445 4.5 21.2 0.4
O A:HOH840 4.5 22.5 1.0
O B:HOH532 4.5 24.5 0.6
O A:HOH857 4.6 21.9 1.0
CB B:GLU198 4.6 22.9 1.0
CG B:ASP173 4.7 22.9 1.0
CA B:GLU198 4.8 22.4 1.0
O A:HOH821 4.9 29.5 0.8

Magnesium binding site 2 out of 2 in 5zcq

Go back to Magnesium Binding Sites List in 5zcq
Magnesium binding site 2 out of 2 in the Azide-Bound Cytochrome C Oxidase Structure Determined Using the Crystals Exposed to 10 Mm Azide Solution For 2 Days


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Azide-Bound Cytochrome C Oxidase Structure Determined Using the Crystals Exposed to 10 Mm Azide Solution For 2 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Mg604

b:28.9
occ:1.00
OD2 N:ASP369 2.1 28.0 1.0
NE2 N:HIS368 2.1 25.7 1.0
O O:HOH434 2.1 28.8 1.0
OE1 O:GLU198 2.1 34.7 1.0
O O:HOH408 2.1 28.9 1.0
O O:HOH487 2.1 26.3 1.0
CD2 N:HIS368 3.1 27.1 1.0
CE1 N:HIS368 3.1 25.7 1.0
CD O:GLU198 3.1 32.0 1.0
CG N:ASP369 3.3 28.3 1.0
OE2 O:GLU198 3.5 35.3 1.0
O O:SER197 3.9 27.7 1.0
CB N:ASP369 4.0 26.9 1.0
O N:HOH875 4.0 26.5 1.0
O N:HOH787 4.2 25.7 1.0
CG N:HIS368 4.2 25.3 1.0
OD2 O:ASP173 4.3 29.6 1.0
ND1 N:HIS368 4.3 26.1 1.0
OD1 N:ASP369 4.3 28.4 1.0
OD1 O:ASP173 4.4 28.6 1.0
OG1 N:THR294 4.4 27.7 1.0
O O:HOH447 4.4 24.6 0.3
O N:HOH710 4.4 26.0 1.0
CG O:GLU198 4.4 28.1 1.0
O N:HOH857 4.5 25.8 1.0
O N:HOH840 4.6 25.4 1.0
O O:HOH489 4.6 33.6 0.6
CB O:GLU198 4.6 26.0 1.0
CG O:ASP173 4.7 30.0 1.0
O N:HOH766 4.8 31.0 0.7
CA O:GLU198 4.9 27.5 1.0
CA N:ASP369 5.0 26.0 1.0

Reference:

A.Shimada, K.Hatano, H.Tadehara, N.Yano, K.Shinzawa-Itoh, E.Yamashita, K.Muramoto, T.Tsukihara, S.Yoshikawa. X-Ray Structural Analyses of Azide-Bound Cytochromecoxidases Reveal That the H-Pathway Is Critically Important For the Proton-Pumping Activity. J. Biol. Chem. V. 293 14868 2018.
ISSN: ESSN 1083-351X
PubMed: 30077971
DOI: 10.1074/JBC.RA118.003123
Page generated: Wed Aug 13 01:22:34 2025

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