Atomistry » Chlorine » PDB 2iws-2j62 » 2iyy
Atomistry »
  Chlorine »
    PDB 2iws-2j62 »
      2iyy »

Chlorine in PDB 2iyy: Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4

Enzymatic activity of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4

All present enzymatic activity of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4:
2.7.1.71;

Protein crystallography data

The structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4, PDB code: 2iyy was solved by M.D.Hartmann, G.P.Bourenkov, A.Oberschall, N.Strizhov, H.D.Bartunik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.16 / 1.62
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 59.349, 59.349, 102.867, 90.00, 90.00, 120.00
R / Rfree (%) 17.5 / 23.3

Other elements in 2iyy:

The structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4 also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4 (pdb code 2iyy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4, PDB code: 2iyy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2iyy

Go back to Chlorine Binding Sites List in 2iyy
Chlorine binding site 1 out of 2 in the Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl214

b:35.6
occ:1.00
OE1 A:GLU61 2.7 18.9 1.0
OG A:SER85 2.8 20.9 1.0
O A:ARG58 2.8 20.6 1.0
CD A:GLU61 3.4 21.2 1.0
CG A:GLU61 3.4 22.8 1.0
CB A:SER85 3.5 22.3 1.0
CB A:GLU61 3.5 17.3 1.0
N A:GLU62 3.6 17.8 1.0
CA A:ARG58 3.6 18.1 1.0
C A:ARG58 3.6 18.8 1.0
CB A:ARG58 3.7 17.3 1.0
CD A:ARG58 3.8 22.9 1.0
O A:ALA82 3.9 17.0 1.0
CA A:GLU62 4.0 18.9 1.0
CB A:GLU62 4.0 26.0 1.0
CG2 A:VAL88 4.1 18.0 1.0
C A:GLU61 4.1 16.4 1.0
CA A:ALA82 4.1 18.9 1.0
CA A:GLU61 4.4 17.9 1.0
CG A:ARG58 4.4 21.6 1.0
O A:HOH2134 4.4 36.7 1.0
C A:ALA82 4.5 17.9 1.0
OE2 A:GLU61 4.5 18.9 1.0
O A:HOH2133 4.6 28.5 1.0
CB A:ALA82 4.7 21.3 1.0
CA A:SER85 4.8 19.8 1.0
O A:GLY81 4.8 20.1 1.0
O A:GLU61 4.8 19.9 1.0
N A:ARG59 4.9 24.2 1.0
N A:SER85 4.9 19.9 1.0
N A:ARG58 4.9 19.8 1.0
N A:GLU61 4.9 21.2 1.0
NH1 A:ARG58 5.0 21.2 1.0

Chlorine binding site 2 out of 2 in 2iyy

Go back to Chlorine Binding Sites List in 2iyy
Chlorine binding site 2 out of 2 in the Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl215

b:37.4
occ:0.50
O A:ARG20 2.0 22.9 0.5
O A:HOH2012 2.7 52.0 1.0
O A:HOH2049 2.9 55.8 1.0
C A:ARG20 3.0 15.8 0.5
O A:ARG20 3.1 19.5 0.5
CA A:ARG20 3.3 23.4 0.5
N A:LYS24 3.4 28.8 0.5
CB A:LYS24 3.4 19.7 0.5
CG A:ARG20 3.5 30.8 0.5
CG A:ARG20 3.7 37.9 0.5
CB A:ALA23 3.7 18.0 0.5
CA A:LYS24 3.8 26.1 0.5
CA A:ARG20 3.8 17.1 0.5
C A:ARG20 3.8 11.9 0.5
N A:LYS24 3.8 19.4 0.5
CB A:ARG20 3.9 28.4 0.5
CB A:ALA23 4.0 27.6 0.5
C A:ALA23 4.2 28.2 0.5
N A:ARG21 4.2 30.0 0.5
CB A:ARG20 4.3 19.9 0.5
CB A:LYS24 4.3 23.7 0.5
CA A:LYS24 4.4 14.6 0.5
CA A:ALA23 4.4 20.8 0.5
C A:ALA23 4.5 21.4 0.5
N A:ALA23 4.5 24.1 0.5
O A:HOH2053 4.5 39.3 1.0
CG A:LYS24 4.5 35.2 0.5
O A:GLY19 4.6 24.4 0.5
N A:ARG20 4.7 27.3 0.5
CA A:ALA23 4.7 17.0 0.5
CD A:LYS24 4.7 43.7 0.5
O A:HOH2014 4.7 47.1 1.0
CA A:ARG21 4.8 18.8 0.5
O A:ARG21 4.8 27.1 0.5
O A:GLY19 4.8 20.0 0.5
C A:ARG21 4.8 27.0 0.5
CD A:ARG20 4.9 53.4 0.5
O A:VAL28 5.0 31.2 0.5
O A:HOH2028 5.0 46.5 1.0
CD A:ARG20 5.0 26.5 0.5

Reference:

M.D.Hartmann, G.P.Bourenkov, A.Oberschall, N.Strizhov, H.D.Bartunik. Mechanism of Phosphoryl Transfer Catalyzed By Shikimate Kinase From Mycobacterium Tuberculosis. J.Mol.Biol. V. 364 411 2006.
ISSN: ISSN 0022-2836
PubMed: 17020768
DOI: 10.1016/J.JMB.2006.09.001
Page generated: Sat Dec 12 09:09:42 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