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Magnesium in PDB 6b4o: 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad

Enzymatic activity of 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad

All present enzymatic activity of 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad:
1.8.1.7; 3.3.1.1;

Protein crystallography data

The structure of 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad, PDB code: 6b4o was solved by G.Minasov, Z.Warwzak, L.Shuvalova, I.Dubrovska, A.Cardona-Correa, S.Grimshaw, K.Kwon, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Centerfor Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.98 / 1.73
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 61.686, 152.613, 98.531, 90.00, 94.97, 90.00
R / Rfree (%) 16.2 / 19.5

Other elements in 6b4o:

The structure of 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad also contains other interesting chemical elements:

Chlorine (Cl) 20 atoms

Magnesium Binding Sites:

Pages:

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

Binding sites:

The binding sites of Magnesium atom in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad (pdb code 6b4o). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 11 binding sites of Magnesium where determined in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad, PDB code: 6b4o:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 11 in 6b4o

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Magnesium binding site 1 out of 11 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:38.9
occ:0.50
 O A:HOH1006 1.7 37.8 0.5
O A:HOH993 2.0 38.5 0.5
O A:HOH639 2.1 30.5 1.0
O A:HOH915 2.2 45.7 1.0
O A:HOH662 2.4 38.3 1.0
O A:HOH876 2.7 44.6 1.0
OD1 A:ASP92 3.5 31.4 1.0
OE1 A:GLU88 3.7 24.2 1.0
O A:HOH710 4.0 23.6 1.0
OE2 A:GLU36 4.1 45.6 1.0
OE1 A:GLU36 4.4 42.2 1.0
CG A:ASP92 4.5 28.6 1.0
O A:HOH1089 4.5 37.6 0.5
CE1 A:HIS95 4.6 25.1 1.0
O A:HOH1055 4.6 42.0 1.0
CD A:GLU36 4.7 38.8 1.0
OD2 A:ASP92 4.8 33.4 1.0
CD A:GLU88 4.9 23.1 1.0

Magnesium binding site 2 out of 11 in 6b4o

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Magnesium binding site 2 out of 11 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg503

b:27.7
occ:0.50
 O A:HOH882 1.9 36.6 1.0
O A:HOH614 1.9 38.8 1.0
O A:HOH1093 1.9 49.0 1.0
O A:HOH650 2.2 35.3 1.0
OD1 A:ASP267 4.0 37.8 1.0
O A:LYS281 4.1 30.8 1.0
O A:HOH737 4.1 28.1 1.0
O A:HOH612 4.3 30.6 1.0
C A:LYS281 4.5 32.5 1.0
CA A:GLY282 4.7 29.6 1.0
N A:GLY282 4.7 30.7 1.0
O A:GLU280 4.8 36.2 1.0
O A:HOH829 4.9 39.8 0.5
O A:HOH695 5.0 38.3 1.0

Magnesium binding site 3 out of 11 in 6b4o

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Magnesium binding site 3 out of 11 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg502

b:40.1
occ:1.00
 O C:HOH692 2.0 40.2 1.0
O B:HOH688 2.1 32.8 1.0
O B:HOH959 2.1 39.0 1.0
O B:HOH1028 2.1 47.0 1.0
O C:HOH662 2.1 21.7 0.5
OD1 B:ASN28 2.2 31.1 1.0
CG B:ASN28 3.3 30.0 1.0
O B:ASN106 3.9 30.7 1.0
OE1 C:GLU280 4.0 49.9 1.0
ND2 B:ASN28 4.1 31.0 1.0
O B:HOH674 4.1 29.0 1.0
CB B:ASN28 4.3 28.7 1.0
CA B:ASN28 4.3 27.2 1.0
OE2 C:GLU280 4.3 51.6 1.0
N B:VAL29 4.5 24.5 1.0
CD C:GLU280 4.6 47.2 1.0
O B:VAL29 4.7 24.2 1.0
CE2 B:TYR4 4.7 34.6 1.0
C B:ASN28 4.7 25.7 1.0
CD2 B:TYR4 4.9 33.0 1.0
OE1 B:GLU108 5.0 41.5 1.0
CB B:GLU108 5.0 33.0 1.0

Magnesium binding site 4 out of 11 in 6b4o

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Magnesium binding site 4 out of 11 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg503

b:38.7
occ:1.00
 OE2 B:GLU150 2.2 29.4 1.0
O B:HOH960 2.3 34.4 1.0
CD B:GLU150 3.3 27.8 1.0
CG B:GLU150 3.7 26.2 1.0
O B:HOH1014 4.1 40.4 0.5
OE1 B:GLU150 4.4 31.2 1.0
OE1 B:GLU151 4.7 29.7 1.0
NZ B:LYS144 4.8 50.8 1.0

Magnesium binding site 5 out of 11 in 6b4o

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Magnesium binding site 5 out of 11 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg504

b:30.2
occ:0.50
 O B:HOH1042 2.0 28.8 0.5
O B:HOH732 2.1 31.4 0.5
O B:HOH822 2.2 28.7 0.5
O B:HOH754 2.3 42.1 1.0
O B:HOH1072 4.2 30.5 0.5
OE1 B:GLN268 4.2 44.1 1.0
O B:GLN268 4.3 34.5 1.0
CB B:GLN268 4.5 36.6 1.0
OG1 B:THR115 4.6 30.6 1.0
O B:HOH877 5.0 35.1 1.0

Magnesium binding site 6 out of 11 in 6b4o

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Magnesium binding site 6 out of 11 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg505

b:35.5
occ:0.50
 O B:HOH819 1.9 28.5 1.0
O B:HOH1029 2.2 35.3 1.0
O B:HOH944 2.2 24.1 0.5
O B:HOH1059 2.6 54.1 1.0
O B:GLY189 4.1 20.2 1.0
O B:HOH1067 4.3 25.2 1.0
CA B:GLY189 4.3 20.1 1.0
O B:HOH776 4.5 23.4 1.0
C B:GLY189 4.7 20.4 1.0
OE2 B:GLU63 4.8 37.0 1.0

Magnesium binding site 7 out of 11 in 6b4o

Go back to Magnesium Binding Sites List in 6b4o
Magnesium binding site 7 out of 11 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg502

b:39.2
occ:1.00
 O C:HOH606 1.9 45.3 1.0
O C:HOH953 1.9 39.9 1.0
O C:HOH746 2.0 27.4 1.0
O C:HOH926 2.0 41.3 1.0
O C:HOH959 2.1 45.0 1.0
O C:HOH781 2.2 36.8 1.0
O C:HOH681 4.1 30.6 1.0
O C:LYS281 4.1 31.0 1.0
OD1 C:ASP267 4.2 38.2 1.0
O C:HOH814 4.2 52.3 1.0
O C:HOH736 4.3 27.3 1.0
C C:LYS281 4.5 32.1 1.0
CA C:GLY282 4.7 28.7 1.0
N C:GLY282 4.7 29.9 1.0
O C:HOH648 4.8 34.9 1.0

Magnesium binding site 8 out of 11 in 6b4o

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Magnesium binding site 8 out of 11 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg502

b:29.2
occ:0.50
 O D:HOH961 1.8 29.3 0.5
OE2 D:GLU150 2.4 35.7 1.0
CD D:GLU150 3.4 33.2 1.0
CG D:GLU150 3.9 32.2 1.0
O D:HOH726 4.0 26.9 0.5
OE1 D:GLU150 4.5 36.8 1.0
OE1 D:GLU151 4.8 37.0 1.0
O D:HOH609 4.9 30.2 1.0

Magnesium binding site 9 out of 11 in 6b4o

Go back to Magnesium Binding Sites List in 6b4o
Magnesium binding site 9 out of 11 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg503

b:41.0
occ:0.50
 O D:HOH818 2.6 34.8 1.0
O D:HOH962 3.2 51.5 1.0
OE2 D:GLU355 4.3 29.2 1.0
O D:HOH938 4.3 31.2 1.0
OE1 D:GLU355 4.4 27.6 1.0
CD D:GLU355 4.7 27.7 1.0

Magnesium binding site 10 out of 11 in 6b4o

Go back to Magnesium Binding Sites List in 6b4o
Magnesium binding site 10 out of 11 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg504

b:37.5
occ:0.50
 O D:HOH950 1.8 34.8 0.5
O D:HOH884 2.0 50.2 1.0
O D:HOH628 2.1 32.5 1.0
O D:HOH984 2.2 34.5 0.5
O D:HOH605 2.3 41.7 1.0
OD1 D:ASP92 3.4 35.5 1.0
OE1 D:GLU88 3.8 29.1 1.0
OE1 D:GLU36 3.9 37.0 1.0
OE2 D:GLU36 3.9 40.9 1.0
O D:HOH630 4.2 31.7 1.0
CE1 D:HIS95 4.2 29.1 1.0
CD D:GLU36 4.4 35.3 1.0
CG D:ASP92 4.5 34.0 1.0
O D:HOH1030 4.6 46.2 1.0
OD2 D:ASP92 4.8 38.0 1.0
CD D:GLU88 5.0 28.9 1.0

Reference:

G.Minasov, Z.Warwzak, L.Shuvalova, I.Dubrovska, A.Cardona-Correa, S.Grimshaw, K.Kwon, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad. To Be Published.
Page generated: Mon Sep 30 19:32:57 2024

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