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Chlorine in PDB 1we2: Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Shikimic Acid

Enzymatic activity of Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Shikimic Acid

All present enzymatic activity of Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Shikimic Acid:
2.7.1.71;

Protein crystallography data

The structure of Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Shikimic Acid, PDB code: 1we2 was solved by J.H.Pereira, J.S.De Oliveira, F.Canduri, M.V.Dias, M.S.Palma, L.A.Basso, D.S.Santos, W.F.De Azevedo Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 6.00 / 2.30
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 62.910, 62.910, 90.920, 90.00, 90.00, 120.00
R / Rfree (%) 20.7 / 28.7

Other elements in 1we2:

The structure of Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Shikimic Acid also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Shikimic Acid (pdb code 1we2). 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 Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Shikimic Acid, PDB code: 1we2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1we2

Go back to Chlorine Binding Sites List in 1we2
Chlorine binding site 1 out of 2 in the Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Shikimic Acid


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 Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Shikimic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl179

b:35.1
occ:1.00
 O A:HOH223 3.1 32.6 1.0
O A:HOH265 4.8 40.7 1.0
CB A:ARG66 4.9 34.0 1.0
CG A:ARG66 5.0 38.7 1.0

Chlorine binding site 2 out of 2 in 1we2

Go back to Chlorine Binding Sites List in 1we2
Chlorine binding site 2 out of 2 in the Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Shikimic Acid


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 Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Shikimic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl180

b:40.2
occ:1.00
 C3 A:DHK181 2.7 24.8 1.0
O A:HOH312 2.8 33.0 1.0
C2 A:DHK181 2.9 23.3 1.0
N A:GLY80 3.2 33.9 1.0
O3 A:DHK181 3.4 26.2 1.0
CA A:GLY80 3.8 35.9 1.0
O A:HOH231 3.9 40.3 1.0
NZ A:LYS15 3.9 24.3 1.0
C4 A:DHK181 4.0 27.1 1.0
CE A:LYS15 4.1 26.5 1.0
OD2 A:ASP34 4.1 39.2 1.0
C1 A:DHK181 4.2 23.9 1.0
C A:GLY79 4.3 31.4 1.0
CG A:PRO11 4.3 28.2 1.0
O3B A:ADP177 4.4 28.4 1.0
MG A:MG178 4.5 34.7 1.0
CA A:GLY79 4.5 31.5 1.0
O A:HOH309 4.6 49.9 1.0
O4 A:DHK181 4.6 28.1 1.0
CA A:PRO11 4.6 25.4 1.0
CB A:PRO11 4.8 26.7 1.0
O1 A:DHK181 4.8 25.8 1.0
O A:HOH320 4.9 30.7 1.0
N A:PRO11 4.9 27.1 1.0
CD A:PRO11 5.0 27.1 1.0

Reference:

J.H.Pereira, J.S.De Oliveira, F.Canduri, M.V.Dias, M.S.Palma, L.A.Basso, D.S.Santos, W.F.De Azevedo. Structure of Shikimate Kinase From Mycobacterium Tuberculosis Reveals the Binding of Shikimic Acid. Acta Crystallogr.,Sect.D V. 60 2310 2004.
ISSN: ISSN 0907-4449
PubMed: 15583379
DOI: 10.1107/S090744490402517X
Page generated: Thu Jul 10 20:16:39 2025

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