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Manganese in PDB 5e2l: 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D-Phenylalanine

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

All present enzymatic activity of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with 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-Phenylalanine, PDB code: 5e2l 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) 49.00 / 2.50
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 203.989, 203.989, 66.904, 90.00, 90.00, 120.00
R / Rfree (%) 15.6 / 17.4

Other elements in 5e2l:

The structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D-Phenylalanine also contains other interesting chemical elements:

Chlorine (Cl) 5 atoms

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-Phenylalanine (pdb code 5e2l). 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-Phenylalanine, PDB code: 5e2l:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 5e2l

Go back to Manganese Binding Sites List in 5e2l
Manganese binding site 1 out of 2 in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with 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-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn502

b:29.6
occ:0.70
 OE2 A:GLU411 2.1 36.5 1.0
OD2 A:ASP441 2.3 31.9 1.0
NE2 A:HIS369 2.4 36.5 1.0
SG A:CYS87 2.4 30.9 1.0
CD A:GLU411 2.8 36.7 1.0
OE1 A:GLU411 2.9 39.7 1.0
CG A:ASP441 3.2 32.2 1.0
CE1 A:HIS369 3.3 36.6 1.0
CD2 A:HIS369 3.4 36.8 1.0
CB A:ASP441 3.4 32.6 1.0
CB A:CYS87 3.6 28.2 1.0
CA A:CYS87 4.2 27.2 1.0
NH1 A:ARG382 4.2 35.4 1.0
NH2 A:ARG126 4.2 24.4 1.0
OD1 A:ASP441 4.2 31.9 1.0
CG A:GLU411 4.3 35.1 1.0
ND1 A:HIS369 4.4 37.3 1.0
O A:HOH629 4.5 29.8 1.0
CG A:HIS369 4.5 37.5 1.0
O A:CYS87 4.7 27.1 1.0
CA A:ASP441 4.7 32.8 1.0
N A:ASP441 4.7 32.5 1.0
C A:CYS87 4.8 26.9 1.0
NH2 A:ARG382 4.9 35.5 1.0

Manganese binding site 2 out of 2 in 5e2l

Go back to Manganese Binding Sites List in 5e2l
Manganese binding site 2 out of 2 in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with 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-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn505

b:29.8
occ:0.70
 OE2 B:GLU411 2.0 30.9 1.0
NE2 B:HIS369 2.4 35.9 1.0
OD2 B:ASP441 2.4 37.6 1.0
SG B:CYS87 2.4 29.5 1.0
CD B:GLU411 2.8 29.4 1.0
OE1 B:GLU411 2.8 30.7 1.0
CE1 B:HIS369 3.2 35.0 1.0
CG B:ASP441 3.3 37.6 1.0
CD2 B:HIS369 3.4 35.5 1.0
CB B:CYS87 3.5 27.8 1.0
CB B:ASP441 3.6 36.9 1.0
CA B:CYS87 4.1 27.1 1.0
NH2 B:ARG126 4.2 21.8 1.0
CG B:GLU411 4.2 28.3 1.0
NH2 B:ARG382 4.3 39.0 1.0
ND1 B:HIS369 4.4 35.7 1.0
OD1 B:ASP441 4.4 37.9 1.0
CG B:HIS369 4.5 35.7 1.0
O B:CYS87 4.6 27.2 1.0
C B:CYS87 4.7 27.1 1.0
CA B:ASP441 4.8 36.0 1.0
NH1 B:ARG126 4.8 21.4 1.0
CZ B:ARG126 4.9 21.3 1.0
N B:ASP441 4.9 36.1 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 23:57:38 2024

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