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Sodium in PDB 4j4t: Crystal Structure of Fabi From F. Tularensis in Complex with Novel Inhibitors Based on the Benzimidazole Scaffold

Enzymatic activity of Crystal Structure of Fabi From F. Tularensis in Complex with Novel Inhibitors Based on the Benzimidazole Scaffold

All present enzymatic activity of Crystal Structure of Fabi From F. Tularensis in Complex with Novel Inhibitors Based on the Benzimidazole Scaffold:
1.3.1.9;

Protein crystallography data

The structure of Crystal Structure of Fabi From F. Tularensis in Complex with Novel Inhibitors Based on the Benzimidazole Scaffold, PDB code: 4j4t was solved by S.Mehboob, T.Boci, L.Brubaker, B.D.Santarsiero, M.E.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.89 / 2.34
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 85.398, 123.349, 202.653, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 24.1

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Fabi From F. Tularensis in Complex with Novel Inhibitors Based on the Benzimidazole Scaffold (pdb code 4j4t). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Crystal Structure of Fabi From F. Tularensis in Complex with Novel Inhibitors Based on the Benzimidazole Scaffold, PDB code: 4j4t:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in 4j4t

Go back to Sodium Binding Sites List in 4j4t
Sodium binding site 1 out of 3 in the Crystal Structure of Fabi From F. Tularensis in Complex with Novel Inhibitors Based on the Benzimidazole Scaffold


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Fabi From F. Tularensis in Complex with Novel Inhibitors Based on the Benzimidazole Scaffold within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na303

b:28.2
occ:1.00
OG B:SER66 3.8 27.8 1.0
N B:GLN68 4.1 27.0 1.0
CB B:GLN68 4.2 31.6 1.0
N B:ASP67 4.2 23.2 1.0
CA B:SER66 4.4 25.7 1.0
CB B:SER66 4.4 25.4 1.0
C B:SER66 4.7 24.1 1.0
CA B:GLN68 4.8 29.2 1.0
CA B:ASP67 5.0 26.2 1.0

Sodium binding site 2 out of 3 in 4j4t

Go back to Sodium Binding Sites List in 4j4t
Sodium binding site 2 out of 3 in the Crystal Structure of Fabi From F. Tularensis in Complex with Novel Inhibitors Based on the Benzimidazole Scaffold


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Fabi From F. Tularensis in Complex with Novel Inhibitors Based on the Benzimidazole Scaffold within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Na303

b:29.8
occ:1.00
OG F:SER66 3.8 24.9 1.0
N F:GLN68 3.9 23.8 1.0
N F:ASP67 4.0 22.6 1.0
CB F:GLN68 4.1 23.7 1.0
CA F:SER66 4.4 21.8 1.0
CB F:SER66 4.5 22.5 1.0
C F:SER66 4.5 20.8 1.0
CB F:ASP67 4.7 25.4 1.0
CA F:GLN68 4.7 23.4 1.0
CA F:ASP67 4.7 23.8 1.0
C F:ASP67 4.9 23.7 1.0

Sodium binding site 3 out of 3 in 4j4t

Go back to Sodium Binding Sites List in 4j4t
Sodium binding site 3 out of 3 in the Crystal Structure of Fabi From F. Tularensis in Complex with Novel Inhibitors Based on the Benzimidazole Scaffold


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of Fabi From F. Tularensis in Complex with Novel Inhibitors Based on the Benzimidazole Scaffold within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Na303

b:29.2
occ:1.00
OG H:SER66 3.6 28.6 1.0
CB H:SER66 4.2 27.0 1.0
CA H:SER66 4.2 27.0 1.0
N H:ASP67 4.4 25.6 1.0
CB H:GLN68 4.5 33.8 1.0
N H:GLN68 4.5 29.3 1.0
C H:SER66 4.7 26.0 1.0

Reference:

S.Mehboob, T.Boci, L.Brubaker, B.D.Santarsiero, M.E.Johnson, K.H.Hevener. Crystal Structure of Fabi From F. Tularensis in Complex with Novel Inhibitors Based on the Benzimidazole Scaffold To Be Published.
Page generated: Tue Dec 15 06:45:59 2020

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