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Chlorine 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:

Magnesium (Mg) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of the Fungal Type I Fas Ppt Domain in Complex with Coa, PDB code: 2wat:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2wat

Go back to Chlorine Binding Sites List in 2wat
Chlorine binding site 1 out of 4 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 Chlorine with other atoms in the Cl 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
A:Cl2887

b:45.4
occ:1.00
 N A:GLY1853 3.9 36.0 1.0
CD2 A:HIS1852 3.9 34.5 1.0
CB A:HIS1852 4.0 26.8 1.0
CA A:HIS1852 4.0 26.0 1.0
CG A:HIS1852 4.3 33.8 1.0
C A:HIS1852 4.5 30.6 1.0
CD A:LYS1856 4.5 49.0 1.0
NZ A:LYS1856 4.6 58.2 1.0
CA A:GLY1853 4.9 34.4 1.0
O A:LEU1851 5.0 35.6 1.0

Chlorine binding site 2 out of 4 in 2wat

Go back to Chlorine Binding Sites List in 2wat
Chlorine binding site 2 out of 4 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 Chlorine with other atoms in the Cl 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:Cl2891

b:55.4
occ:1.00
 O B:HOH2081 2.6 43.6 1.0
O B:HOH2080 2.7 41.2 1.0
N B:GLY1853 3.1 32.1 1.0
CA B:HIS1852 3.9 25.2 1.0
CB B:HIS1852 3.9 28.1 1.0
CA B:GLY1853 3.9 30.5 1.0
C B:HIS1852 4.0 28.4 1.0
CD2 B:HIS1852 4.6 34.2 1.0
CG B:HIS1852 4.6 30.9 1.0
CD B:LYS1856 4.7 48.1 1.0

Chlorine binding site 3 out of 4 in 2wat

Go back to Chlorine Binding Sites List in 2wat
Chlorine binding site 3 out of 4 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 Chlorine with other atoms in the Cl 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
D:Cl2889

b:34.3
occ:0.50
 N D:GLY1853 3.7 32.3 1.0
CA D:GLY1853 4.4 31.1 1.0
CB D:HIS1852 4.5 22.4 1.0
O D:HOH2072 4.6 43.0 1.0
CA D:HIS1852 4.6 24.6 1.0
C D:HIS1852 4.7 28.2 1.0

Chlorine binding site 4 out of 4 in 2wat

Go back to Chlorine Binding Sites List in 2wat
Chlorine binding site 4 out of 4 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 Chlorine with other atoms in the Cl 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
E:Cl2890

b:48.8
occ:1.00
 N E:GLY1853 4.2 35.0 1.0
CD2 E:HIS1852 4.3 35.8 1.0
CB E:HIS1852 4.4 26.2 1.0
CA E:HIS1852 4.5 25.5 1.0
CG E:HIS1852 4.7 31.1 1.0
NZ E:LYS1856 4.7 62.6 1.0
CD E:LYS1856 4.8 45.0 1.0
C E:HIS1852 4.9 29.9 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: Sat Jul 20 12:38:45 2024

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