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Zinc in PDB 7aau: Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+

Enzymatic activity of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+

All present enzymatic activity of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+:
1.1.1.284;

Protein crystallography data

The structure of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+, PDB code: 7aau was solved by S.Fermani, M.Zaffagnini, G.Falini, S.D.Lemaire, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.57 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 77.754, 142.723, 206.587, 90, 90, 90
R / Rfree (%) 17.8 / 22.6

Other elements in 7aau:

The structure of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+ also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms
Magnesium (Mg) 1 atom

Zinc Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Zinc atom in the Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+ (pdb code 7aau). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 12 binding sites of Zinc where determined in the Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+, PDB code: 7aau:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 12 in 7aau

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Zinc binding site 1 out of 12 in the Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:33.6
occ:1.00
 NE2 A:HIS70 2.2 29.9 1.0
SG A:CYS48 2.3 30.0 1.0
SG A:CYS178 2.3 34.3 1.0
OE2 A:GLU71 2.4 33.3 1.0
CE1 A:HIS70 3.0 24.5 1.0
CB A:CYS178 3.1 26.8 1.0
CB A:CYS48 3.2 29.5 1.0
CD2 A:HIS70 3.2 29.5 1.0
CD A:GLU71 3.3 30.6 1.0
CG A:GLU71 3.6 29.1 1.0
NH2 A:ARG373 3.7 31.8 1.0
ND1 A:HIS70 4.2 26.3 1.0
CG A:HIS70 4.3 33.5 1.0
OE1 A:GLU71 4.4 25.5 1.0
CA A:CYS48 4.4 32.4 1.0
OG1 A:THR50 4.5 33.7 1.0
CZ A:ARG373 4.5 38.8 1.0
CA A:CYS178 4.6 29.4 1.0
N A:CYS48 4.7 24.5 1.0
NE A:ARG373 4.7 30.7 1.0
N A:GLY179 4.7 25.1 1.0
CB A:THR50 4.7 34.1 1.0

Zinc binding site 2 out of 12 in 7aau

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Zinc binding site 2 out of 12 in the Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn402

b:25.3
occ:1.00
 SG A:CYS114 2.3 20.7 1.0
SG A:CYS103 2.3 22.9 1.0
SG A:CYS106 2.3 24.2 1.0
SG A:CYS100 2.4 21.0 1.0
CB A:CYS114 3.1 22.6 1.0
CB A:CYS103 3.3 23.4 1.0
CB A:CYS100 3.4 22.0 1.0
CB A:CYS106 3.4 28.8 1.0
N A:CYS100 3.5 25.4 1.0
CA A:CYS114 3.6 24.0 1.0
N A:CYS103 3.7 32.5 1.0
CA A:CYS100 3.9 24.7 1.0
N A:GLY101 4.0 26.8 1.0
N A:VAL115 4.1 15.6 1.0
CA A:CYS103 4.1 27.3 1.0
N A:CYS106 4.2 24.0 1.0
C A:CYS100 4.3 28.1 1.0
C A:CYS114 4.3 20.0 1.0
CA A:CYS106 4.4 24.6 1.0
N A:GLU102 4.5 30.0 1.0
N A:SER116 4.6 22.2 1.0
C A:TYR99 4.6 21.2 1.0
CB A:SER116 4.7 19.6 1.0
C A:CYS103 4.7 26.8 1.0
N A:CYS114 4.8 22.5 1.0
O A:CYS103 4.8 24.7 1.0
C A:GLU102 4.9 33.2 1.0
CA A:TYR99 4.9 22.9 1.0

Zinc binding site 3 out of 12 in 7aau

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Zinc binding site 3 out of 12 in the Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn401

b:32.1
occ:1.00
 OE2 B:GLU71 2.1 25.8 1.0
NE2 B:HIS70 2.2 29.9 1.0
SG B:CYS48 2.4 31.6 1.0
SG B:CYS178 2.4 34.9 1.0
CE1 B:HIS70 3.1 29.8 1.0
CD B:GLU71 3.1 31.1 1.0
CD2 B:HIS70 3.2 26.8 1.0
CB B:CYS48 3.2 31.2 1.0
CB B:CYS178 3.2 29.2 1.0
O B:HOH522 3.4 33.8 1.0
CG B:GLU71 3.6 26.5 1.0
NH2 B:ARG373 3.7 36.8 1.0
ND1 B:HIS70 4.2 25.7 1.0
OE1 B:GLU71 4.2 29.4 1.0
CG B:HIS70 4.3 29.7 1.0
CA B:CYS48 4.5 36.7 1.0
OG1 B:THR50 4.6 32.8 1.0
CZ B:ARG373 4.6 32.2 1.0
CB B:THR50 4.6 27.4 1.0
N B:CYS48 4.6 32.9 1.0
CA B:CYS178 4.7 28.1 1.0
NE B:ARG373 4.8 33.1 1.0
N B:GLY179 4.8 24.4 1.0

Zinc binding site 4 out of 12 in 7aau

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Zinc binding site 4 out of 12 in the Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn402

b:19.3
occ:1.00
 SG B:CYS106 2.3 19.4 1.0
SG B:CYS103 2.3 20.0 1.0
SG B:CYS114 2.3 20.9 1.0
SG B:CYS100 2.4 21.1 1.0
CB B:CYS114 3.2 18.1 1.0
CB B:CYS100 3.3 19.1 1.0
CB B:CYS103 3.3 19.7 1.0
CB B:CYS106 3.4 24.1 1.0
N B:CYS100 3.5 24.6 1.0
CA B:CYS114 3.6 20.1 1.0
CA B:CYS100 3.8 22.7 1.0
N B:CYS103 3.9 21.7 1.0
N B:VAL115 4.1 18.5 1.0
CA B:CYS103 4.2 18.6 1.0
N B:GLY101 4.3 20.8 1.0
N B:CYS106 4.3 17.5 1.0
C B:CYS114 4.4 22.1 1.0
C B:CYS100 4.4 24.6 1.0
CA B:CYS106 4.5 21.2 1.0
C B:TYR99 4.5 21.8 1.0
CB B:SER116 4.6 20.3 1.0
N B:SER116 4.7 22.9 1.0
OG B:SER116 4.7 24.9 1.0
N B:GLU102 4.8 26.4 1.0
N B:CYS114 4.8 22.1 1.0
CA B:TYR99 4.8 20.8 1.0
C B:CYS103 4.8 19.7 1.0
O B:CYS103 5.0 20.3 1.0

Zinc binding site 5 out of 12 in 7aau

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Zinc binding site 5 out of 12 in the Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+ within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn401

b:53.8
occ:0.81
 SG C:CYS48 2.0 58.0 1.0
SG C:CYS178 2.3 45.9 1.0
NE2 C:HIS70 2.4 38.7 1.0
CB C:CYS48 2.9 28.7 1.0
CD2 C:HIS70 3.2 34.0 1.0
CB C:CYS178 3.3 38.9 1.0
CE1 C:HIS70 3.3 34.9 1.0
OE2 C:GLU71 3.5 39.1 1.0
NH2 C:ARG373 3.8 26.1 1.0
CD C:GLU71 3.8 34.4 1.0
CG C:GLU71 3.8 34.9 1.0
CA C:CYS48 4.3 41.5 1.0
CG C:HIS70 4.3 36.0 1.0
ND1 C:HIS70 4.3 30.6 1.0
OG1 C:THR50 4.5 32.2 1.0
N C:GLY179 4.6 25.1 1.0
CB C:THR50 4.6 34.6 1.0
OE1 C:GLU71 4.7 37.4 1.0
N C:CYS48 4.7 38.9 1.0
CA C:CYS178 4.7 32.3 1.0
C5N C:NAD403 4.7 22.0 1.0
CZ C:ARG373 4.8 33.9 1.0

Zinc binding site 6 out of 12 in 7aau

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Zinc binding site 6 out of 12 in the Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+ within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn402

b:24.8
occ:1.00
 SG C:CYS114 2.4 23.9 1.0
SG C:CYS106 2.4 23.8 1.0
SG C:CYS100 2.5 24.4 1.0
SG C:CYS103 2.5 25.2 1.0
CB C:CYS100 3.1 28.7 1.0
N C:CYS100 3.2 26.8 1.0
CB C:CYS114 3.2 26.5 1.0
CB C:CYS103 3.4 25.0 1.0
CB C:CYS106 3.4 19.3 1.0
CA C:CYS100 3.6 28.5 1.0
CA C:CYS114 3.7 22.9 1.0
N C:CYS103 3.9 20.6 1.0
N C:GLY101 4.0 26.6 1.0
N C:VAL115 4.1 19.2 1.0
C C:CYS100 4.2 25.2 1.0
CA C:CYS103 4.2 23.9 1.0
N C:CYS106 4.3 23.0 1.0
C C:TYR99 4.3 26.4 1.0
C C:CYS114 4.4 21.6 1.0
CA C:CYS106 4.5 21.9 1.0
N C:GLU102 4.6 23.2 1.0
CB C:SER116 4.6 25.1 1.0
N C:SER116 4.7 22.0 1.0
CA C:TYR99 4.7 24.4 1.0
OG C:SER116 4.7 28.6 1.0
N C:CYS114 4.9 26.8 1.0
C C:CYS103 4.9 26.6 1.0

Zinc binding site 7 out of 12 in 7aau

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Zinc binding site 7 out of 12 in the Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+ within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn401

b:33.8
occ:1.00
 OE2 D:GLU71 2.0 29.5 1.0
NE2 D:HIS70 2.2 32.0 1.0
SG D:CYS178 2.3 29.7 1.0
SG D:CYS48 2.4 32.2 1.0
CE1 D:HIS70 3.0 30.0 1.0
CD D:GLU71 3.0 30.9 1.0
CB D:CYS48 3.1 27.4 1.0
O D:HOH635 3.1 34.1 1.0
CD2 D:HIS70 3.2 30.2 1.0
CB D:CYS178 3.2 33.4 1.0
CG D:GLU71 3.4 27.0 1.0
NH2 D:ARG373 3.6 33.5 1.0
ND1 D:HIS70 4.1 24.7 1.0
OE1 D:GLU71 4.2 27.0 1.0
CG D:HIS70 4.3 27.8 1.0
CZ D:ARG373 4.3 31.1 1.0
NE D:ARG373 4.3 25.2 1.0
OG1 D:THR50 4.4 35.3 1.0
CA D:CYS48 4.4 29.8 1.0
N D:CYS48 4.7 29.2 1.0
CB D:THR50 4.7 33.7 1.0
CA D:CYS178 4.7 27.8 1.0
N D:GLY179 4.8 24.3 1.0
O D:HOH524 4.8 23.1 1.0
CB D:GLU71 4.9 25.0 1.0

Zinc binding site 8 out of 12 in 7aau

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Zinc binding site 8 out of 12 in the Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+ within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn402

b:25.0
occ:1.00
 SG D:CYS114 2.3 23.2 1.0
SG D:CYS100 2.3 23.8 1.0
SG D:CYS106 2.3 27.6 1.0
SG D:CYS103 2.4 24.1 1.0
CB D:CYS103 3.2 29.3 1.0
CB D:CYS100 3.3 24.5 1.0
CB D:CYS114 3.4 22.5 1.0
N D:CYS100 3.4 24.0 1.0
CB D:CYS106 3.4 28.5 1.0
N D:CYS103 3.6 32.3 1.0
CA D:CYS100 3.7 22.6 1.0
CA D:CYS114 3.8 23.1 1.0
N D:GLY101 3.9 27.3 1.0
CA D:CYS103 4.0 27.8 1.0
C D:CYS100 4.2 31.8 1.0
N D:VAL115 4.3 21.5 1.0
N D:CYS106 4.3 27.4 1.0
N D:GLU102 4.3 33.7 1.0
CA D:CYS106 4.4 31.1 1.0
C D:CYS114 4.5 22.5 1.0
CB D:SER116 4.6 22.6 1.0
C D:TYR99 4.6 24.4 1.0
N D:SER116 4.6 24.7 1.0
C D:CYS103 4.6 30.6 1.0
O D:CYS103 4.8 30.4 1.0
C D:GLU102 4.8 34.6 1.0
OG D:SER116 4.9 23.5 1.0
CA D:TYR99 4.9 26.0 1.0
CA D:GLY101 5.0 28.6 1.0
N D:CYS114 5.0 26.2 1.0

Zinc binding site 9 out of 12 in 7aau

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Zinc binding site 9 out of 12 in the Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+ within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn401

b:38.3
occ:1.00
 OE2 E:GLU71 2.1 34.9 1.0
NE2 E:HIS70 2.1 34.2 1.0
SG E:CYS48 2.3 38.9 1.0
SG E:CYS178 2.5 39.0 1.0
CE1 E:HIS70 2.9 31.1 1.0
CD E:GLU71 3.1 34.1 1.0
CD2 E:HIS70 3.2 30.8 1.0
CB E:CYS48 3.2 32.5 1.0
CG E:GLU71 3.3 30.8 1.0
CB E:CYS178 3.4 36.6 1.0
NH2 E:ARG373 3.7 30.0 1.0
ND1 E:HIS70 4.0 32.4 1.0
OE1 E:GLU71 4.2 30.9 1.0
CG E:HIS70 4.2 32.8 1.0
NE E:ARG373 4.4 33.7 1.0
CZ E:ARG373 4.4 31.9 1.0
OG1 E:THR50 4.5 38.3 1.0
CA E:CYS48 4.5 37.2 1.0
N E:CYS48 4.7 36.2 1.0
CB E:THR50 4.7 34.8 1.0
CA E:CYS178 4.8 33.5 1.0
CB E:GLU71 4.8 28.7 1.0
N E:GLY179 4.8 32.0 1.0

Zinc binding site 10 out of 12 in 7aau

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Zinc binding site 10 out of 12 in the Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+ within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn402

b:28.3
occ:1.00
 SG E:CYS114 2.3 28.6 1.0
SG E:CYS106 2.4 28.2 1.0
SG E:CYS100 2.4 31.7 1.0
SG E:CYS103 2.4 28.1 1.0
CB E:CYS100 3.1 27.2 1.0
CB E:CYS114 3.2 23.4 1.0
CB E:CYS106 3.3 27.0 1.0
N E:CYS100 3.3 29.9 1.0
CB E:CYS103 3.4 30.3 1.0
CA E:CYS114 3.7 28.9 1.0
CA E:CYS100 3.7 28.2 1.0
N E:CYS103 3.9 29.8 1.0
N E:GLY101 4.0 32.7 1.0
N E:VAL115 4.1 23.5 1.0
CA E:CYS103 4.2 29.6 1.0
N E:CYS106 4.2 25.3 1.0
C E:CYS100 4.2 34.5 1.0
CA E:CYS106 4.3 25.3 1.0
C E:CYS114 4.4 26.0 1.0
C E:TYR99 4.5 30.4 1.0
N E:SER116 4.6 29.6 1.0
CB E:SER116 4.7 31.9 1.0
N E:GLU102 4.8 30.6 1.0
C E:CYS103 4.8 28.0 1.0
CA E:TYR99 4.8 30.2 1.0
O E:CYS103 4.9 30.8 1.0
N E:CYS114 4.9 28.1 1.0

Reference:

A.Tagliani, J.Rossi, C.H.Marchand, M.De Mia, D.Tedesco, L.Gurrieri, M.Meloni, G.Falini, P.Trost, S.D.Lemaire, S.Fermani, M.Zaffagnini. Structural and Functional Insights Into Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii. Redox Biol V. 38 01806 2020.
ISSN: ISSN 2213-2317
PubMed: 33316743
DOI: 10.1016/J.REDOX.2020.101806
Page generated: Tue Oct 29 16:32:57 2024

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