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Manganese in PDB 5e7z: 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D/L-Tryptophan and D- Phenylalanine

Enzymatic activity of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D/L-Tryptophan and D- Phenylalanine

All present enzymatic activity of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D/L-Tryptophan and D- Phenylalanine:
2.5.1.54;

Protein crystallography data

The structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D/L-Tryptophan and D- Phenylalanine, PDB code: 5e7z was solved by S.Reichau, W.Jiao, E.J.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.55 / 2.40
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 206.357, 206.357, 66.941, 90.00, 90.00, 120.00
R / Rfree (%) 13.7 / 16.1

Manganese Binding Sites:

The binding sites of Manganese atom in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D/L-Tryptophan and D- Phenylalanine (pdb code 5e7z). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D/L-Tryptophan and D- Phenylalanine, PDB code: 5e7z:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 5e7z

Go back to Manganese Binding Sites List in 5e7z
Manganese binding site 1 out of 2 in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D/L-Tryptophan and D- Phenylalanine


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D/L-Tryptophan and D- Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn503

b:35.0
occ:1.00
 OE2 A:GLU411 2.0 28.9 1.0
OD2 A:ASP441 2.3 35.9 1.0
SG A:CYS87 2.6 31.6 1.0
NE2 A:HIS369 2.7 38.3 1.0
CD A:GLU411 2.7 33.2 1.0
OE1 A:GLU411 2.7 39.7 1.0
CG A:ASP441 3.3 34.5 1.0
CE1 A:HIS369 3.4 36.2 1.0
CB A:CYS87 3.5 27.7 1.0
CB A:ASP441 3.6 32.3 1.0
CD2 A:HIS369 3.6 36.9 1.0
NH1 A:ARG382 4.0 39.1 1.0
CA A:CYS87 4.2 27.0 1.0
CG A:GLU411 4.2 30.7 1.0
O A:HOH653 4.4 32.9 1.0
OD1 A:ASP441 4.4 33.3 1.0
NH2 A:ARG126 4.4 40.9 1.0
ND1 A:HIS369 4.5 39.0 1.0
CG A:HIS369 4.6 40.7 1.0
O A:CYS87 4.7 30.5 1.0
CA A:ASP441 4.8 30.2 1.0
C A:CYS87 4.8 26.9 1.0
N A:ASP441 4.8 29.8 1.0
NH2 A:ARG382 4.9 39.9 1.0
CZ A:ARG382 4.9 42.5 1.0

Manganese binding site 2 out of 2 in 5e7z

Go back to Manganese Binding Sites List in 5e7z
Manganese binding site 2 out of 2 in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D/L-Tryptophan and D- Phenylalanine


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D/L-Tryptophan and D- Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn503

b:38.0
occ:1.00
 OE2 B:GLU411 2.1 33.8 1.0
OD2 B:ASP441 2.4 33.4 1.0
SG B:CYS87 2.5 28.7 1.0
NE2 B:HIS369 2.6 31.3 1.0
OE1 B:GLU411 2.8 36.0 1.0
CD B:GLU411 2.8 31.2 1.0
CG B:ASP441 3.2 31.4 1.0
CE1 B:HIS369 3.3 28.3 1.0
CD2 B:HIS369 3.6 30.5 1.0
CB B:CYS87 3.6 26.2 1.0
CB B:ASP441 3.6 33.2 1.0
NH2 B:ARG382 4.1 46.4 1.0
CA B:CYS87 4.2 26.9 1.0
CG B:GLU411 4.3 29.0 1.0
OD1 B:ASP441 4.3 36.1 1.0
NH2 B:ARG126 4.4 30.5 1.0
ND1 B:HIS369 4.4 30.6 1.0
CG B:HIS369 4.6 33.1 1.0
O B:CYS87 4.8 24.8 1.0
CA B:ASP441 4.9 28.9 1.0
N B:ASP441 4.9 28.4 1.0
C B:CYS87 4.9 26.2 1.0
NH1 B:ARG382 5.0 42.9 1.0

Reference:

S.Reichau, N.J.Blackmore, W.Jiao, E.J.Parker. Probing the Sophisticated Synergistic Allosteric Regulation of Aromatic Amino Acid Biosynthesis in Mycobacterium Tuberculosis Using -Amino Acids. Plos One V. 11 52723 2016.
ISSN: ESSN 1932-6203
PubMed: 27128682
DOI: 10.1371/JOURNAL.PONE.0152723
Page generated: Sat Oct 5 23:59:45 2024

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