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Magnesium in PDB 2wat: Structure of the Fungal Type I Fas Ppt Domain in Complex with Coa

Enzymatic activity of Structure of the Fungal Type I Fas Ppt Domain in Complex with Coa

All present enzymatic activity of Structure of the Fungal Type I Fas Ppt Domain in Complex with Coa:
2.3.1.41; 2.7.8.7;

Protein crystallography data

The structure of Structure of the Fungal Type I Fas Ppt Domain in Complex with Coa, PDB code: 2wat was solved by P.Johansson, B.Mulincacci, C.Koestler, M.Grininger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 80.01 / 2.20
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 145.587, 73.764, 105.689, 90.00, 130.80, 90.00
R / Rfree (%) 21.7 / 25.2

Other elements in 2wat:

The structure of Structure of the Fungal Type I Fas Ppt Domain in Complex with Coa also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of the Fungal Type I Fas Ppt Domain in Complex with Coa (pdb code 2wat). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Structure of the Fungal Type I Fas Ppt Domain in Complex with Coa, PDB code: 2wat:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 2wat

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Magnesium binding site 1 out of 5 in the Structure of the Fungal Type I Fas Ppt Domain in Complex with Coa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Fungal Type I Fas Ppt Domain in Complex with Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg2889

b:44.6
occ:1.00
 O B:VAL1773 2.8 23.8 1.0
O C:HIS1873 2.9 18.1 1.0
O B:HOH2038 2.9 37.0 1.0
O4A B:COA2888 3.1 23.0 1.0
O C:HOH2077 3.1 43.8 1.0
O2A B:COA2888 3.4 15.4 1.0
OE2 B:GLU1774 3.5 28.2 1.0
OD1 B:ASP1772 3.8 24.0 1.0
OG C:SER1872 3.9 21.6 1.0
CD B:GLU1774 3.9 33.6 1.0
C C:HIS1873 4.0 20.7 1.0
C B:VAL1773 4.0 23.7 1.0
OE1 B:GLU1774 4.1 33.5 1.0
O B:HOH2005 4.2 34.0 1.0
P1A B:COA2888 4.2 19.8 1.0
P2A B:COA2888 4.3 26.7 1.0
O3A B:COA2888 4.4 27.4 1.0
O1A B:COA2888 4.4 19.9 1.0
OD2 B:ASP1772 4.4 21.8 1.0
CG B:ASP1772 4.4 22.6 1.0
CG1 B:VAL1773 4.5 19.4 1.0
N B:VAL1773 4.6 17.6 1.0
N C:HIS1873 4.7 17.6 1.0
O B:HOH2112 4.7 32.7 1.0
N C:ASP1874 4.7 16.1 1.0
O B:HOH2004 4.7 22.6 1.0
CA C:ASP1874 4.7 17.0 1.0
CG B:GLU1774 4.8 28.2 1.0
CB C:ASP1874 4.8 15.4 1.0
CA B:GLU1774 4.9 20.6 1.0
CA B:VAL1773 4.9 18.4 1.0
N B:GLU1774 4.9 23.0 1.0

Magnesium binding site 2 out of 5 in 2wat

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Magnesium binding site 2 out of 5 in the Structure of the Fungal Type I Fas Ppt Domain in Complex with Coa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the Fungal Type I Fas Ppt Domain in Complex with Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg2890

b:43.9
occ:1.00
 O A:VAL1773 2.8 22.5 1.0
O B:HIS1873 3.0 19.6 1.0
O2A B:COA2887 3.3 30.5 1.0
O3A B:COA2887 3.5 35.7 1.0
OE2 A:GLU1774 3.5 23.2 1.0
O A:HOH2035 3.7 38.3 1.0
P1A B:COA2887 3.8 22.2 1.0
OD1 A:ASP1772 3.9 29.0 1.0
CD A:GLU1774 3.9 34.9 1.0
OG B:SER1872 3.9 18.5 1.0
C A:VAL1773 4.1 24.5 1.0
OE1 A:GLU1774 4.1 33.5 1.0
O1A B:COA2887 4.1 18.8 1.0
C B:HIS1873 4.2 17.5 1.0
CG A:ASP1772 4.5 22.4 1.0
OD2 A:ASP1772 4.5 22.1 1.0
N B:HIS1873 4.6 16.0 1.0
CG1 A:VAL1773 4.6 20.8 1.0
N A:VAL1773 4.7 19.7 1.0
O A:HOH2007 4.7 29.3 1.0
O4A B:COA2887 4.8 38.1 1.0
P2A B:COA2887 4.8 37.2 1.0
CG A:GLU1774 4.8 31.0 1.0
CB B:ASP1874 4.8 16.7 1.0
CA A:GLU1774 4.9 17.9 1.0
N A:GLU1774 5.0 23.6 1.0
CA A:VAL1773 5.0 17.4 1.0

Magnesium binding site 3 out of 5 in 2wat

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Magnesium binding site 3 out of 5 in the Structure of the Fungal Type I Fas Ppt Domain in Complex with Coa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of the Fungal Type I Fas Ppt Domain in Complex with Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg2888

b:25.5
occ:1.00
 O A:HIS1873 2.9 33.3 1.0
O4A C:COA2887 2.9 42.1 1.0
OE2 C:GLU1774 3.0 28.7 1.0
O2A C:COA2887 3.1 15.7 1.0
O C:VAL1773 3.1 17.9 1.0
OD1 C:ASP1772 3.3 31.9 1.0
CD C:GLU1774 3.6 29.9 1.0
OG A:SER1872 3.7 16.5 1.0
P1A C:COA2887 3.8 16.4 1.0
OE1 C:GLU1774 4.0 29.6 1.0
O1A C:COA2887 4.0 15.1 1.0
C A:HIS1873 4.1 19.4 1.0
CG C:ASP1772 4.1 21.9 1.0
P2A C:COA2887 4.1 27.3 1.0
OD2 C:ASP1772 4.1 17.8 1.0
O3A C:COA2887 4.1 33.0 1.0
C C:VAL1773 4.3 21.0 1.0
N A:HIS1873 4.6 20.5 1.0
CG C:GLU1774 4.6 28.6 1.0
N C:VAL1773 4.7 18.2 1.0
CB A:ASP1874 4.8 16.1 1.0
N A:ASP1874 4.9 22.7 1.0
O5A C:COA2887 4.9 37.6 1.0
O A:HOH2071 4.9 40.7 1.0
CA A:ASP1874 4.9 24.1 1.0
O C:HOH2085 4.9 45.2 1.0
CA A:HIS1873 5.0 22.8 1.0

Magnesium binding site 4 out of 5 in 2wat

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Magnesium binding site 4 out of 5 in the Structure of the Fungal Type I Fas Ppt Domain in Complex with Coa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of the Fungal Type I Fas Ppt Domain in Complex with Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg2887

b:36.9
occ:1.00
 O D:VAL1773 2.7 23.3 1.0
O2A E:COA2887 2.9 24.6 1.0
OE2 D:GLU1774 2.9 27.1 1.0
O E:HIS1873 3.0 22.4 1.0
O4A E:COA2887 3.0 37.0 1.0
OD1 D:ASP1772 3.2 28.1 1.0
OG E:SER1872 3.4 22.8 1.0
CD D:GLU1774 3.5 34.7 1.0
CG D:ASP1772 3.8 22.4 1.0
OD2 D:ASP1772 3.8 21.6 1.0
C D:VAL1773 3.9 23.8 1.0
OE1 D:GLU1774 3.9 33.0 1.0
P1A E:COA2887 3.9 25.6 1.0
C E:HIS1873 4.0 20.9 1.0
O1A E:COA2887 4.3 31.9 1.0
N D:VAL1773 4.3 19.0 1.0
P2A E:COA2887 4.3 37.0 1.0
O3A E:COA2887 4.4 28.7 1.0
CG D:GLU1774 4.4 27.1 1.0
N E:HIS1873 4.5 20.0 1.0
O E:HOH2076 4.7 34.5 1.0
CG1 D:VAL1773 4.7 19.9 1.0
CA D:VAL1773 4.7 16.9 1.0
CB E:SER1872 4.8 19.5 1.0
N D:GLU1774 4.8 22.3 1.0
CA D:GLU1774 4.8 17.4 1.0
N E:ASP1874 4.8 19.0 1.0
CB E:ASP1874 4.8 18.0 1.0
CA E:HIS1873 4.9 22.2 1.0
CA E:ASP1874 5.0 19.6 1.0

Magnesium binding site 5 out of 5 in 2wat

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Magnesium binding site 5 out of 5 in the Structure of the Fungal Type I Fas Ppt Domain in Complex with Coa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Structure of the Fungal Type I Fas Ppt Domain in Complex with Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg2889

b:60.1
occ:1.00
 O E:VAL1773 2.9 24.6 1.0
O2A E:COA2888 3.1 18.2 1.0
O4A E:COA2888 3.1 38.3 1.0
O F:HIS1873 3.2 33.8 1.0
OE2 E:GLU1774 3.3 32.5 1.0
P1A E:COA2888 3.7 24.3 1.0
CD E:GLU1774 3.7 34.4 1.0
O1A E:COA2888 3.7 24.3 1.0
OD1 E:ASP1772 3.8 27.1 1.0
O3A E:COA2888 3.9 42.9 1.0
OE1 E:GLU1774 4.0 30.9 1.0
P2A E:COA2888 4.0 39.9 1.0
OG F:SER1872 4.0 21.8 1.0
C E:VAL1773 4.1 25.2 1.0
C F:HIS1873 4.2 27.9 1.0
OD2 E:ASP1772 4.4 21.1 1.0
CG E:ASP1772 4.5 21.5 1.0
O E:HOH2004 4.5 29.9 1.0
O5A E:COA2888 4.7 42.1 1.0
N F:HIS1873 4.7 24.2 1.0
CG E:GLU1774 4.7 33.3 1.0
N E:VAL1773 4.8 20.2 1.0
CG1 E:VAL1773 4.8 20.3 1.0
CA E:GLU1774 4.9 21.6 1.0
CB F:ASP1874 4.9 23.9 1.0
N F:ASP1874 5.0 27.9 1.0
N E:GLU1774 5.0 20.9 1.0

Reference:

P.Johansson, B.Mulinacci, C.Koestler, R.Vollrath, D.Oesterhelt, M.Grininger. Multimeric Options For the Auto-Activation of the Saccharomyces Cerevisiae Fas Type I Megasynthase. Structure V. 17 1063 2009.
ISSN: ISSN 0969-2126
PubMed: 19679086
DOI: 10.1016/J.STR.2009.06.014
Page generated: Sun Aug 10 15:38:13 2025

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