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Chlorine in PDB 1u8a: Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate and Adp at 2.15 Angstrom Resolution

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate and Adp at 2.15 Angstrom Resolution

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate and Adp at 2.15 Angstrom Resolution:
2.7.1.71;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate and Adp at 2.15 Angstrom Resolution, PDB code: 1u8a was solved by B.Dhaliwal, C.E.Nichols, J.Ren, M.Lockyer, I.Charles, A.R.Hawkins, D.K.Stammers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.15
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 63.700, 63.700, 91.600, 90.00, 90.00, 120.00
R / Rfree (%) 20.8 / 27.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate and Adp at 2.15 Angstrom Resolution (pdb code 1u8a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate and Adp at 2.15 Angstrom Resolution, PDB code: 1u8a:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 1u8a

Go back to Chlorine Binding Sites List in 1u8a
Chlorine binding site 1 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate and Adp at 2.15 Angstrom Resolution


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 Shikimate Kinase in Complex with Shikimate and Adp at 2.15 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl190

b:62.1
occ:1.00
 NH1 A:ARG66 3.2 58.8 1.0
CZ A:ARG66 4.3 57.0 1.0
CD A:ARG66 4.3 53.7 1.0
CG A:ARG66 4.5 51.2 1.0
CB A:ARG66 4.6 50.5 1.0
NE A:ARG66 4.8 49.5 1.0
O A:HOH211 5.0 32.9 1.0

Chlorine binding site 2 out of 3 in 1u8a

Go back to Chlorine Binding Sites List in 1u8a
Chlorine binding site 2 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate and Adp at 2.15 Angstrom Resolution


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 Shikimate Kinase in Complex with Shikimate and Adp at 2.15 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl191

b:56.1
occ:1.00
 N A:GLY29 3.0 39.3 1.0
N A:GLY74 3.4 39.4 1.0
CA A:GLY74 3.5 42.1 1.0
CE1 A:HIS72 3.6 48.6 1.0
O A:HOH234 3.6 44.5 1.0
CA A:GLY29 3.7 40.3 1.0
CB A:VAL28 3.9 25.7 1.0
C A:VAL28 4.1 41.0 1.0
O A:GLY29 4.1 39.6 1.0
ND1 A:HIS72 4.1 34.9 1.0
CA A:VAL28 4.2 38.3 1.0
C A:ASP73 4.2 39.2 1.0
C A:GLY29 4.3 37.3 1.0
NE2 A:HIS72 4.4 60.9 1.0
O A:HOH219 4.5 45.7 1.0
N A:ASP73 4.7 31.8 1.0
CG1 A:VAL28 4.7 24.4 1.0
CG2 A:VAL28 4.8 37.7 1.0
CA A:ASP73 4.8 35.6 1.0
O A:ASP73 4.9 39.1 1.0
CB A:ASP73 4.9 50.5 1.0
C A:GLY74 5.0 37.7 1.0

Chlorine binding site 3 out of 3 in 1u8a

Go back to Chlorine Binding Sites List in 1u8a
Chlorine binding site 3 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate and Adp at 2.15 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate and Adp at 2.15 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl192

b:56.7
occ:1.00
 NH1 A:ARG66 3.5 58.8 1.0
NH2 A:ARG66 3.5 55.9 1.0
O A:ALA90 3.5 36.6 1.0
C A:ALA90 3.6 30.4 1.0
CA A:ALA91 3.7 34.7 1.0
N A:ALA91 3.7 36.5 1.0
CZ A:ARG66 4.0 57.0 1.0
CB A:ALA90 4.1 25.7 1.0
CB A:ALA91 4.4 32.2 1.0
CA A:ALA90 4.5 29.2 1.0
C A:ALA91 4.9 37.8 1.0

Reference:

B.Dhaliwal, C.E.Nichols, J.Ren, M.Lockyer, I.Charles, A.R.Hawkins, D.K.Stammers. Crystallographic Studies of Shikimate Binding and Induced Conformational Changes in Mycobacterium Tuberculosis Shikimate Kinase. Febs Lett. V. 574 49 2004.
ISSN: ISSN 0014-5793
PubMed: 15358538
DOI: 10.1016/J.FEBSLET.2004.08.005
Page generated: Sat Dec 12 08:50:42 2020

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