Atomistry » Sodium » PDB 4u9u-4us7 » 4uio
Atomistry »
  Sodium »
    PDB 4u9u-4us7 »
      4uio »

Sodium in PDB 4uio: Structure of the Salmonella Typhi Type I Dehydroquinase Covalently Inhibited By A 3-Dehydroquinic Acid Derivative

Enzymatic activity of Structure of the Salmonella Typhi Type I Dehydroquinase Covalently Inhibited By A 3-Dehydroquinic Acid Derivative

All present enzymatic activity of Structure of the Salmonella Typhi Type I Dehydroquinase Covalently Inhibited By A 3-Dehydroquinic Acid Derivative:
4.2.1.10;

Protein crystallography data

The structure of Structure of the Salmonella Typhi Type I Dehydroquinase Covalently Inhibited By A 3-Dehydroquinic Acid Derivative, PDB code: 4uio was solved by J.M.Otero, A.L.Llamas-Saiz, L.Tizon, E.Lence, P.Thompson, A.R.Hawkins, C.Gonzalez-Bello, M.J.Van Raaij, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.63 / 1.35
Space group I 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 67.399, 42.327, 84.828, 90.00, 105.13, 90.00
R / Rfree (%) 17.4 / 21.4

Other elements in 4uio:

The structure of Structure of the Salmonella Typhi Type I Dehydroquinase Covalently Inhibited By A 3-Dehydroquinic Acid Derivative also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Structure of the Salmonella Typhi Type I Dehydroquinase Covalently Inhibited By A 3-Dehydroquinic Acid Derivative (pdb code 4uio). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Structure of the Salmonella Typhi Type I Dehydroquinase Covalently Inhibited By A 3-Dehydroquinic Acid Derivative, PDB code: 4uio:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 4uio

Go back to Sodium Binding Sites List in 4uio
Sodium binding site 1 out of 2 in the Structure of the Salmonella Typhi Type I Dehydroquinase Covalently Inhibited By A 3-Dehydroquinic Acid Derivative


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of the Salmonella Typhi Type I Dehydroquinase Covalently Inhibited By A 3-Dehydroquinic Acid Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1256

b:12.4
occ:1.00
 O A:HOH2012 2.7 8.7 1.0
O A:HOH2006 2.7 8.1 1.0
NE A:ARG159 2.9 7.6 1.0
NH2 A:ARG159 3.3 12.1 1.0
CZ A:ARG159 3.6 10.4 1.0
CG A:ARG159 3.8 6.4 1.0
CD A:ARG159 3.9 6.7 1.0
CB A:ARG159 4.0 5.8 1.0
O A:HOH2075 4.1 22.2 1.0
O A:HOH2015 4.5 12.3 1.0
NE2 A:GLN162 4.5 7.1 1.0
O A:TYR195 4.6 7.5 1.0
CD1 A:TYR195 4.7 9.0 1.0
CA A:ARG159 4.8 6.0 1.0
NH1 A:ARG159 4.9 12.5 1.0
CB A:TYR195 4.9 7.2 1.0
O A:ARG159 4.9 5.8 1.0

Sodium binding site 2 out of 2 in 4uio

Go back to Sodium Binding Sites List in 4uio
Sodium binding site 2 out of 2 in the Structure of the Salmonella Typhi Type I Dehydroquinase Covalently Inhibited By A 3-Dehydroquinic Acid Derivative


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Structure of the Salmonella Typhi Type I Dehydroquinase Covalently Inhibited By A 3-Dehydroquinic Acid Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1257

b:5.2
occ:1.00
 O A:HOH2185 3.0 18.7 1.0
NE A:ARG102 3.2 8.4 1.0
O A:HOH2058 3.2 8.8 1.0
OH A:TYR130 3.7 7.3 1.0
CD A:ARG102 3.8 7.8 1.0
CZ A:TYR130 3.9 6.5 1.0
CB A:ARG102 4.0 7.1 1.0
CZ A:ARG102 4.2 7.8 1.0
NH2 A:ARG102 4.3 9.3 1.0
OD2 A:ASP106 4.3 7.1 1.0
CE1 A:TYR130 4.4 7.6 1.0
CE2 A:TYR130 4.4 5.9 1.0
CG A:ARG102 4.5 7.4 1.0

Reference:

C.Gonzalez-Bello, L.Tizon, E.Lence, J.M.Otero, M.J.Van Raaij, M.Martinez-Guitian, A.Beceiro, P.Thompson, A.R.Hawkins. Chemical Modification of A Dehydratase Enzyme Involved in Bacterial Virulence By An Ammonium Derivative: Evidence of Its Active Site Covalent Adduct. J.Am.Chem.Soc. V. 137 9333 2015.
ISSN: ISSN 0002-7863
PubMed: 26148116
DOI: 10.1021/JACS.5B04080
Page generated: Tue Dec 15 08:39:21 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy