Chlorine in PDB 2g1k: Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate at 1.75 Angstrom Resolution

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate at 1.75 Angstrom Resolution:
2.7.1.71;

The structure of Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate at 1.75 Angstrom Resolution, PDB code: 2g1k was solved by J.Gan, Y.Gu, Y.Li, H.Yan, X.Ji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.49 / 1.75
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	59.309, 59.309, 102.537, 90.00, 90.00, 120.00
R / Rfree (%)	22.2 / 24.7

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate at 1.75 Angstrom Resolution (pdb code 2g1k). 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 Shikimate Kinase in Complex with Shikimate at 1.75 Angstrom Resolution, PDB code: 2g1k:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate at 1.75 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 at 1.75 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:64.3 occ:1.00 N A:GLN55 3.1 33.9 1.0 O A:HOH612 3.2 35.6 1.0 CG A:GLN55 3.4 59.7 1.0 N A:GLU54 3.5 33.5 1.0 CB A:GLN55 3.5 44.9 1.0 CA A:GLN55 3.9 36.5 1.0 C A:GLY53 4.0 35.8 1.0 C A:GLU54 4.0 31.9 1.0 CA A:GLU54 4.0 32.6 1.0 CA A:GLY53 4.1 33.2 1.0 CD A:GLN55 4.1 69.0 1.0 O A:HOH727 4.1 51.3 1.0 CB A:GLU54 4.2 32.6 1.0 NE2 A:GLN55 4.6 71.8 1.0 OE1 A:GLN55 4.7 75.2 1.0 O A:GLY53 4.8 33.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate at 1.75 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 at 1.75 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:54.9 occ:1.00 N A:GLY113 3.2 37.2 1.0 NH2 A:ARG117 3.2 46.2 1.0 OG1 A:THR115 3.4 41.2 1.0 CA A:GLY113 3.4 39.9 1.0 O A:HOH634 3.8 32.4 1.0 O A:ARG110 3.8 36.0 1.0 C A:THR111 3.9 31.4 1.0 CA A:THR111 3.9 30.8 1.0 CB A:THR115 3.9 36.5 1.0 C A:GLY113 3.9 40.2 1.0 NE A:ARG117 4.1 35.9 1.0 CZ A:ARG117 4.1 36.2 1.0 O A:THR111 4.1 34.6 1.0 N A:GLY112 4.2 31.9 1.0 N A:THR115 4.3 36.1 1.0 O A:GLY113 4.3 36.8 1.0 C A:GLY112 4.4 37.4 1.0 N A:ASN114 4.5 38.4 1.0 O A:HOH686 4.6 51.5 1.0 O A:HOH690 4.6 58.2 1.0 C A:ARG110 4.7 32.3 1.0 CA A:THR115 4.7 32.6 1.0 N A:THR111 4.8 31.8 1.0 CB A:THR111 4.8 30.5 1.0 CA A:GLY112 4.9 38.0 1.0 O A:HOH689 5.0 52.0 1.0

J.Gan, Y.Gu, Y.Li, H.Yan, X.Ji. Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimic Acid and An Atp Analogue. Biochemistry V. 45 8539 2006.
ISSN: ISSN 0006-2960
PubMed: 16834327
DOI: 10.1021/BI0606290