Atomistry » Chlorine » PDB 4uvn-4v35 » 4v0s
Atomistry »
  Chlorine »
    PDB 4uvn-4v35 »
      4v0s »

Chlorine 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
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Mycobacterium Tuberculosis Type II Dehydroquinase D88N Mutant Inhibited By A 3-Dehydroquinic Acid Derivative, PDB code: 4v0s:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4v0s

Go back to Chlorine Binding Sites List in 4v0s
Chlorine binding site 1 out of 2 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 Chlorine with other atoms in the Cl 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:Cl1150

b:24.2
occ:1.00
 O B:HOH2059 3.1 26.2 1.0
NE2 A:GLN131 3.3 13.2 1.0
NE A:ARG138 3.4 22.3 1.0
CD2 A:LEU135 3.9 10.5 1.0
CB A:LEU134 3.9 10.1 1.0
CG A:GLN131 4.0 12.2 1.0
CD A:GLN131 4.1 10.5 1.0
CD A:ARG138 4.2 17.4 1.0
NH2 A:ARG138 4.2 27.9 1.0
CZ A:ARG138 4.3 23.0 1.0
CD B:ARG138 4.4 21.6 1.0
CD1 A:LEU134 4.5 13.8 1.0
CG A:LEU135 4.7 10.9 1.0
CB B:ARG138 4.7 17.7 1.0
C A:LEU134 4.7 8.7 1.0
N A:LEU135 4.8 8.3 1.0
O B:HOH2058 4.8 31.9 1.0
CG A:LEU134 4.9 12.7 1.0
O A:LEU134 4.9 9.9 1.0
CA A:LEU134 5.0 9.7 1.0

Chlorine binding site 2 out of 2 in 4v0s

Go back to Chlorine Binding Sites List in 4v0s
Chlorine binding site 2 out of 2 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 Chlorine with other atoms in the Cl binding site number 2 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
B:Cl1146

b:28.1
occ:1.00
 NE2 B:GLN131 3.2 12.0 1.0
O A:HOH2080 3.3 30.7 1.0
NE B:ARG138 3.5 25.1 1.0
OE2 B:GLU39 3.7 41.1 1.0
CD2 B:LEU135 3.9 12.0 1.0
CG B:GLN131 4.0 11.0 1.0
NH2 B:ARG138 4.1 30.5 1.0
CB B:LEU134 4.1 10.8 1.0
CD B:GLN131 4.1 11.1 1.0
CZ B:ARG138 4.2 23.2 1.0
CD B:ARG138 4.4 21.6 1.0
CD1 B:LEU134 4.6 16.8 1.0
CG B:LEU135 4.6 12.0 1.0
CD A:ARG138 4.6 17.4 1.0
CB A:ARG138 4.7 10.1 1.0
CD B:GLU39 4.7 34.8 1.0
C B:LEU134 4.8 10.3 1.0
N B:LEU135 4.8 10.3 1.0
O A:HOH2079 4.9 27.4 1.0
OE1 B:GLU39 5.0 45.7 1.0
CG B:LEU134 5.0 15.7 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: Fri Jul 26 02:38:06 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy