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Sodium in PDB 4v0s: Crystal Structure of Mycobacterium Tuberculosis Type II Dehydroquinase D88N Mutant Inhibited By A 3-Dehydroquinic Acid Derivative

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Type II Dehydroquinase D88N Mutant Inhibited By A 3-Dehydroquinic Acid Derivative

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Type II Dehydroquinase D88N Mutant Inhibited By A 3-Dehydroquinic Acid Derivative:
4.2.1.10;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Type II Dehydroquinase D88N Mutant Inhibited By A 3-Dehydroquinic Acid Derivative, PDB code: 4v0s was solved by J.M.Otero, A.L.Llamas-Saiz, C.Santiago, H.Lamb, A.R.Hawkins, M.Maneiro, A.Peon, 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) 53.71 / 1.55
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 38.848, 65.187, 94.755, 90.00, 90.00, 90.00
R / Rfree (%) 13.5 / 18.9

Other elements in 4v0s:

The structure of Crystal Structure of Mycobacterium Tuberculosis Type II Dehydroquinase D88N Mutant Inhibited By A 3-Dehydroquinic Acid Derivative also contains other interesting chemical elements:

Fluorine (F) 20 atoms
Chlorine (Cl) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Mycobacterium Tuberculosis Type II Dehydroquinase D88N Mutant Inhibited By A 3-Dehydroquinic Acid Derivative (pdb code 4v0s). 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 Mycobacterium Tuberculosis Type II Dehydroquinase D88N Mutant Inhibited By A 3-Dehydroquinic Acid Derivative, PDB code: 4v0s:

Sodium binding site 1 out of 1 in 4v0s

Go back to Sodium Binding Sites List in 4v0s
Sodium binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis Type II Dehydroquinase D88N Mutant 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 Crystal Structure of Mycobacterium Tuberculosis Type II Dehydroquinase D88N Mutant Inhibited By A 3-Dehydroquinic Acid Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1151

b:20.7
occ:1.00
 OE1 A:GLU42 2.3 28.4 1.0
OE2 A:GLU39 2.5 29.5 1.0
OE1 A:GLU39 2.6 25.8 1.0
CD A:GLU39 2.9 24.1 1.0
CD A:GLU42 3.4 22.4 1.0
OE2 A:GLU42 3.7 27.6 1.0
O A:HOH2028 4.4 27.1 1.0
O A:HOH2012 4.4 36.7 1.0
CG A:GLU39 4.5 23.0 1.0
NH2 A:ARG38 4.5 33.0 1.0
CG A:GLU42 4.7 17.3 1.0
NE A:ARG38 4.8 29.7 1.0

Reference:

M.Maneiro, J.M.Otero, A.Peon, M.J.Van Raaij, H.Lamb, A.R.Hawkings, C.Gonzalez-Bello. Investigation of the Dehydratation Mechanism Catalyzed By the Type II Dehydroquinase To Be Published.
Page generated: Mon Oct 7 18:48:30 2024

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