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Magnesium in PDB 4cz1: Crystal Structure of Kynurenine Formamidase From Bacillus Anthracis Complexed with 2-Aminoacetophenone.

Enzymatic activity of Crystal Structure of Kynurenine Formamidase From Bacillus Anthracis Complexed with 2-Aminoacetophenone.

All present enzymatic activity of Crystal Structure of Kynurenine Formamidase From Bacillus Anthracis Complexed with 2-Aminoacetophenone.:
3.5.1.9;

Protein crystallography data

The structure of Crystal Structure of Kynurenine Formamidase From Bacillus Anthracis Complexed with 2-Aminoacetophenone., PDB code: 4cz1 was solved by L.Diaz-Saez, V.Srikannathasan, M.Zoltner, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.64 / 2.24
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 73.695, 66.561, 84.061, 90.00, 90.24, 90.00
R / Rfree (%) 18.37 / 22.41

Other elements in 4cz1:

The structure of Crystal Structure of Kynurenine Formamidase From Bacillus Anthracis Complexed with 2-Aminoacetophenone. also contains other interesting chemical elements:

Zinc (Zn) 8 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Kynurenine Formamidase From Bacillus Anthracis Complexed with 2-Aminoacetophenone. (pdb code 4cz1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Kynurenine Formamidase From Bacillus Anthracis Complexed with 2-Aminoacetophenone., PDB code: 4cz1:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 4cz1

Go back to Magnesium Binding Sites List in 4cz1
Magnesium binding site 1 out of 3 in the Crystal Structure of Kynurenine Formamidase From Bacillus Anthracis Complexed with 2-Aminoacetophenone.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Kynurenine Formamidase From Bacillus Anthracis Complexed with 2-Aminoacetophenone. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1210

b:32.9
occ:1.00
O A:HOH2132 2.1 23.2 1.0
O A:HOH2055 2.2 38.5 1.0
O A:HOH2054 2.2 22.9 1.0
OD1 A:ASP64 2.6 38.0 1.0
CG A:ASP64 3.8 40.4 1.0
O A:HOH2053 4.1 34.5 1.0
OD2 A:ASP64 4.4 40.9 1.0
O A:ASN63 4.8 36.0 1.0

Magnesium binding site 2 out of 3 in 4cz1

Go back to Magnesium Binding Sites List in 4cz1
Magnesium binding site 2 out of 3 in the Crystal Structure of Kynurenine Formamidase From Bacillus Anthracis Complexed with 2-Aminoacetophenone.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Kynurenine Formamidase From Bacillus Anthracis Complexed with 2-Aminoacetophenone. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1210

b:19.9
occ:1.00
O C:HOH2049 2.1 15.7 1.0
O C:HOH2052 2.1 24.3 1.0
O C:GLY38 2.1 15.6 1.0
O C:HOH2050 2.2 28.8 1.0
O C:HOH2115 2.3 31.4 1.0
O C:HOH2051 2.6 16.2 1.0
C C:GLY38 3.2 15.8 1.0
CA C:GLY38 4.0 15.3 1.0
N C:SER39 4.2 15.7 1.0
CA C:SER39 4.3 16.6 1.0
O C:HOH2043 4.4 29.9 1.0
O D:LYS156 4.5 33.1 1.0
OE2 D:GLU157 4.7 41.4 1.0
CB C:SER39 4.8 17.3 1.0
OE1 D:GLU157 4.9 63.0 1.0
O D:HOH2079 4.9 28.5 1.0

Magnesium binding site 3 out of 3 in 4cz1

Go back to Magnesium Binding Sites List in 4cz1
Magnesium binding site 3 out of 3 in the Crystal Structure of Kynurenine Formamidase From Bacillus Anthracis Complexed with 2-Aminoacetophenone.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Kynurenine Formamidase From Bacillus Anthracis Complexed with 2-Aminoacetophenone. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1210

b:57.2
occ:1.00
O D:HOH2090 1.8 33.2 1.0
O D:ILE209 2.8 25.6 1.0
O D:HOH2091 3.1 28.9 1.0
C D:ILE209 3.7 21.0 1.0
OXT D:ILE209 3.9 24.2 1.0
O D:HOH2048 3.9 49.3 1.0
O D:HOH2092 4.4 18.9 1.0
CG2 D:ILE209 4.6 20.7 1.0

Reference:

L.Diaz-Saez, V.Srikannathasan, M.Zoltner, W.N.Hunter. Structure of Bacterial Kynurenine Formamidase Reveals A Crowded Binuclear-Zinc Catalytic Site Primed to Generate A Potent Nucleophile. Biochem.J. V. 462 581 2014.
ISSN: ISSN 0264-6021
PubMed: 24942958
DOI: 10.1042/BJ20140511
Page generated: Thu Aug 15 16:56:14 2024

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