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Sodium in PDB 4fw6: Crystal Structure of the Lpxc in Complex with N-[(2S,3R)-3-Hydroxy-1- (Hydroxyamino)-1-Oxobutan-2-Yl]-4-(Phenylethynyl)Benzamide Inhibitor

Protein crystallography data

The structure of Crystal Structure of the Lpxc in Complex with N-[(2S,3R)-3-Hydroxy-1- (Hydroxyamino)-1-Oxobutan-2-Yl]-4-(Phenylethynyl)Benzamide Inhibitor, PDB code: 4fw6 was solved by Y.N.Kang, J.A.Stuckey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.64 / 1.83
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 35.477, 89.630, 169.997, 90.00, 90.08, 90.00
R / Rfree (%) 16.3 / 19.7

Other elements in 4fw6:

The structure of Crystal Structure of the Lpxc in Complex with N-[(2S,3R)-3-Hydroxy-1- (Hydroxyamino)-1-Oxobutan-2-Yl]-4-(Phenylethynyl)Benzamide Inhibitor also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of the Lpxc in Complex with N-[(2S,3R)-3-Hydroxy-1- (Hydroxyamino)-1-Oxobutan-2-Yl]-4-(Phenylethynyl)Benzamide Inhibitor (pdb code 4fw6). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of the Lpxc in Complex with N-[(2S,3R)-3-Hydroxy-1- (Hydroxyamino)-1-Oxobutan-2-Yl]-4-(Phenylethynyl)Benzamide Inhibitor, PDB code: 4fw6:

Sodium binding site 1 out of 1 in 4fw6

Go back to Sodium Binding Sites List in 4fw6
Sodium binding site 1 out of 1 in the Crystal Structure of the Lpxc in Complex with N-[(2S,3R)-3-Hydroxy-1- (Hydroxyamino)-1-Oxobutan-2-Yl]-4-(Phenylethynyl)Benzamide Inhibitor


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 the Lpxc in Complex with N-[(2S,3R)-3-Hydroxy-1- (Hydroxyamino)-1-Oxobutan-2-Yl]-4-(Phenylethynyl)Benzamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Na307

b:38.2
occ:1.00
OD2 D:ASP70 2.2 64.7 1.0
CG D:ASP70 3.0 57.2 1.0
CB D:ASP70 3.7 45.1 1.0
OD1 D:ASP70 3.7 55.4 1.0
CA D:ASP70 4.8 40.6 1.0
N D:ASP70 4.8 39.8 1.0

Reference:

Y.N.Kang, J.A.Stuckey. Crystal Structure of the Lpxc To Be Published.
Page generated: Tue Dec 15 06:41:08 2020

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