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Chlorine in PDB 1l4u: Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Pt(II) at 1.8 Angstrom Resolution

Enzymatic activity of Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Pt(II) at 1.8 Angstrom Resolution

All present enzymatic activity of Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Pt(II) at 1.8 Angstrom Resolution:
2.7.1.71;

Protein crystallography data

The structure of Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Pt(II) at 1.8 Angstrom Resolution, PDB code: 1l4u was solved by Y.Gu, L.Reshetnikova, Y.Li, Y.Wu, H.Yan, S.Singh, X.Ji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.80
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 63.830, 63.830, 91.920, 90.00, 90.00, 120.00
R / Rfree (%) 22.1 / 24.9

Other elements in 1l4u:

The structure of Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Pt(II) at 1.8 Angstrom Resolution also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Platinum (Pt) 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 Pt(II) at 1.8 Angstrom Resolution (pdb code 1l4u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Pt(II) at 1.8 Angstrom Resolution, PDB code: 1l4u:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 1l4u

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Chlorine binding site 1 out of 6 in the Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Pt(II) at 1.8 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 Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Pt(II) at 1.8 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl191

b:36.7
occ:1.00
 O A:HOH204 2.9 23.9 1.0
NH1 A:ARG66 3.2 27.2 1.0
CD A:ARG66 4.3 23.1 1.0
CB A:ARG66 4.3 18.9 1.0
CG A:ARG66 4.3 21.9 1.0
CZ A:ARG66 4.4 24.8 1.0
O A:ARG66 4.7 18.9 1.0
O A:HOH223 4.7 27.3 1.0
NE A:ARG66 4.8 26.1 1.0
O A:HOH345 4.8 20.4 1.0
CA A:ARG66 4.9 19.4 1.0

Chlorine binding site 2 out of 6 in 1l4u

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Chlorine binding site 2 out of 6 in the Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Pt(II) at 1.8 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 Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Pt(II) at 1.8 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl192

b:32.2
occ:1.00
 O A:HOH235 3.0 29.2 1.0
O A:HOH315 3.2 36.8 1.0
N A:GLY29 3.2 24.9 1.0
N A:GLY74 3.4 20.9 1.0
CE1 A:HIS72 3.6 25.8 1.0
CA A:GLY74 3.7 19.6 1.0
CB A:VAL28 3.9 23.8 1.0
CA A:GLY29 3.9 23.2 1.0
ND1 A:HIS72 4.1 25.7 1.0
C A:ASP73 4.2 22.7 1.0
O A:GLY29 4.2 22.5 1.0
C A:VAL28 4.2 26.2 1.0
CA A:VAL28 4.2 25.9 1.0
NE2 A:HIS72 4.3 23.9 1.0
N A:ASP73 4.4 23.1 1.0
C A:GLY29 4.5 23.3 1.0
CG1 A:VAL28 4.5 24.2 1.0
O A:HOH324 4.6 49.8 1.0
CA A:ASP73 4.7 23.2 1.0
CB A:ASP73 4.8 27.9 1.0
O A:HOH316 4.9 45.5 1.0
O A:ASP73 4.9 22.5 1.0
CG A:HIS72 5.0 24.3 1.0
CG2 A:VAL28 5.0 23.6 1.0

Chlorine binding site 3 out of 6 in 1l4u

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Chlorine binding site 3 out of 6 in the Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Pt(II) at 1.8 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 Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Pt(II) at 1.8 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl193

b:36.8
occ:1.00
 O A:HOH367 3.0 43.9 1.0
NZ A:LYS15 3.2 18.0 1.0
O A:HOH305 3.4 48.0 1.0
CG A:PRO11 3.4 25.9 1.0
O A:HOH389 3.5 33.9 1.0
CA A:PRO11 3.5 25.1 1.0
CA A:GLY80 3.6 22.4 1.0
N A:PRO11 3.7 24.7 1.0
N A:GLY80 3.7 23.3 1.0
CB A:PRO11 3.7 25.6 1.0
O A:HOH374 3.7 47.5 1.0
CE A:LYS15 3.9 16.5 1.0
CD A:PRO11 4.0 24.9 1.0
C A:LEU10 4.1 21.6 1.0
NH1 A:ARG117 4.3 46.2 1.0
O3B A:ADP180 4.3 22.4 1.0
O A:GLY9 4.4 16.5 1.0
O A:LEU10 4.4 19.7 1.0
C A:GLY80 4.9 22.5 1.0
C A:PRO11 4.9 24.6 1.0
C A:GLY79 5.0 23.5 1.0
CA A:LEU10 5.0 19.9 1.0

Chlorine binding site 4 out of 6 in 1l4u

Go back to Chlorine Binding Sites List in 1l4u
Chlorine binding site 4 out of 6 in the Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Pt(II) at 1.8 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Pt(II) at 1.8 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl194

b:30.9
occ:1.00
 O A:ALA90 3.5 19.3 1.0
NH1 A:ARG66 3.5 27.2 1.0
NH2 A:ARG66 3.6 26.6 1.0
C A:ALA90 3.7 16.6 1.0
O A:HOH355 3.8 30.3 1.0
N A:ALA91 3.8 17.1 1.0
CA A:ALA91 3.8 16.9 1.0
CZ A:ARG66 4.0 24.8 1.0
CB A:ALA90 4.1 17.6 1.0
CA A:ALA90 4.5 17.3 1.0
CB A:ALA91 4.7 18.4 1.0
C A:ALA91 4.9 18.6 1.0

Chlorine binding site 5 out of 6 in 1l4u

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Chlorine binding site 5 out of 6 in the Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Pt(II) at 1.8 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Pt(II) at 1.8 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl195

b:33.5
occ:1.00
 PT A:PT189 2.2 36.9 1.0
SD A:MET133 2.5 29.6 1.0
O A:HOH321 2.7 42.6 1.0
O8 A:EPE181 3.0 43.6 1.0
CG A:MET133 3.2 26.8 1.0
C8 A:EPE181 3.2 44.2 1.0
CE A:MET133 3.8 30.1 1.0
C7 A:EPE181 4.0 43.3 1.0
N4 A:EPE181 4.1 41.0 1.0
O A:HOH211 4.1 21.6 1.0
CL A:CL196 4.4 34.2 1.0
C3 A:EPE181 4.4 40.5 1.0
CB A:MET133 4.6 22.6 1.0

Chlorine binding site 6 out of 6 in 1l4u

Go back to Chlorine Binding Sites List in 1l4u
Chlorine binding site 6 out of 6 in the Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Pt(II) at 1.8 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp and Pt(II) at 1.8 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl196

b:34.2
occ:1.00
 PT A:PT189 2.4 36.9 1.0
SD A:MET133 3.3 29.6 1.0
C3 A:EPE181 3.3 40.5 1.0
N4 A:EPE181 3.4 41.0 1.0
NH1 A:ARG130 3.5 20.5 1.0
CG A:ARG130 3.5 17.9 1.0
O A:HOH211 3.6 21.6 1.0
CZ A:ARG130 3.6 19.4 1.0
CB A:ARG130 3.7 17.9 1.0
C5 A:EPE181 3.7 41.7 1.0
CB A:ALA104 3.8 17.1 1.0
CA A:ARG130 3.8 17.6 1.0
NE A:ARG130 4.0 17.7 1.0
O A:ARG130 4.1 17.6 1.0
NH2 A:ARG130 4.1 20.5 1.0
CG A:MET133 4.3 26.8 1.0
CB A:MET133 4.3 22.6 1.0
CD A:ARG130 4.3 18.4 1.0
CL A:CL195 4.4 33.5 1.0
C A:ARG130 4.4 18.1 1.0
C2 A:EPE181 4.5 40.8 1.0
CE A:MET133 4.6 30.1 1.0
O8 A:EPE181 4.7 43.6 1.0
C7 A:EPE181 4.8 43.3 1.0
C6 A:EPE181 4.8 41.1 1.0
N1 A:EPE181 4.9 41.6 1.0
CA A:ALA104 5.0 17.4 1.0

Reference:

Y.Gu, L.Reshetnikova, Y.Li, Y.Wu, H.Yan, S.Singh, X.Ji. Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis Reveals the Dynamic Role of the Lid Domain in Catalysis. J.Mol.Biol. V. 319 779 2002.
ISSN: ISSN 0022-2836
PubMed: 12054870
DOI: 10.1016/S0022-2836(02)00339-X
Page generated: Fri Jul 19 23:34:23 2024

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