Manganese in PDB 5e5g: 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with D-Tryptophan Bound in the Tryptophan and Phenylalanine Binding Sites

All present enzymatic activity of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with D-Tryptophan Bound in the Tryptophan and Phenylalanine Binding Sites:
2.5.1.54;

The structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with D-Tryptophan Bound in the Tryptophan and Phenylalanine Binding Sites, PDB code: 5e5g 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)	47.25 / 1.95
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	205.002, 205.002, 66.542, 90.00, 90.00, 120.00
R / Rfree (%)	16.8 / 18.4

The binding sites of Manganese atom in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with D-Tryptophan Bound in the Tryptophan and Phenylalanine Binding Sites (pdb code 5e5g). 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 with D-Tryptophan Bound in the Tryptophan and Phenylalanine Binding Sites, PDB code: 5e5g:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with D-Tryptophan Bound in the Tryptophan and Phenylalanine Binding Sites


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 with D-Tryptophan Bound in the Tryptophan and Phenylalanine Binding Sites within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn502 b:25.9 occ:0.80 O A:HOH777 2.1 31.8 1.0 OE2 A:GLU411 2.2 28.9 1.0 OD2 A:ASP441 2.2 29.9 1.0 NE2 A:HIS369 2.3 31.3 1.0 SG A:CYS87 2.5 26.6 1.0 OE1 A:GLU411 2.6 28.7 1.0 CD A:GLU411 2.7 28.0 1.0 CG A:ASP441 3.1 30.4 1.0 CE1 A:HIS369 3.1 30.2 1.0 CD2 A:HIS369 3.3 32.4 1.0 CB A:ASP441 3.5 29.6 1.0 CB A:CYS87 3.5 23.9 1.0 O A:HOH638 4.0 46.7 1.0 NH1 A:ARG382 4.1 32.2 1.0 O A:HOH740 4.1 37.2 1.0 CA A:CYS87 4.1 23.2 1.0 CG A:GLU411 4.2 27.1 1.0 O A:HOH865 4.2 32.0 1.0 OD1 A:ASP441 4.3 28.8 1.0 NH2 A:ARG126 4.3 26.9 1.0 ND1 A:HIS369 4.3 30.3 1.0 O A:HOH799 4.3 31.8 1.0 CG A:HIS369 4.4 32.2 1.0 CA A:ASP441 4.7 29.2 1.0 O A:CYS87 4.8 24.4 1.0 C A:CYS87 4.8 22.8 1.0 NH2 A:ARG382 4.8 30.7 1.0 N A:ASP441 4.8 29.2 1.0 CZ A:ARG382 4.9 32.2 1.0 CZ A:ARG126 5.0 26.6 1.0

Manganese binding site 2 out of 2 in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with D-Tryptophan Bound in the Tryptophan and Phenylalanine Binding Sites


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 with D-Tryptophan Bound in the Tryptophan and Phenylalanine Binding Sites within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn505 b:22.0 occ:0.70 O B:HOH760 1.8 33.2 1.0 OE2 B:GLU411 2.2 25.7 1.0 OD2 B:ASP441 2.2 31.7 1.0 NE2 B:HIS369 2.3 28.1 1.0 SG B:CYS87 2.5 27.8 1.0 OE1 B:GLU411 2.6 25.6 1.0 CD B:GLU411 2.7 24.5 1.0 CG B:ASP441 3.1 30.1 1.0 CE1 B:HIS369 3.2 28.9 1.0 CD2 B:HIS369 3.4 28.7 1.0 CB B:ASP441 3.4 30.2 1.0 CB B:CYS87 3.5 24.1 1.0 NH2 B:ARG382 4.0 33.2 1.0 O B:HOH918 4.1 39.4 1.0 CA B:CYS87 4.1 22.9 1.0 O B:HOH681 4.2 41.2 1.0 CG B:GLU411 4.2 24.1 1.0 OD1 B:ASP441 4.3 29.7 1.0 O B:HOH847 4.3 34.7 1.0 O B:HOH749 4.3 47.5 1.0 NH2 B:ARG126 4.3 21.7 1.0 ND1 B:HIS369 4.3 29.7 1.0 CG B:HIS369 4.5 28.9 1.0 CA B:ASP441 4.7 29.3 1.0 NH1 B:ARG382 4.8 31.6 1.0 O B:CYS87 4.8 20.5 1.0 N B:ASP441 4.8 27.9 1.0 C B:CYS87 4.8 22.3 1.0 CZ B:ARG382 4.9 33.9 1.0 CZ B:ARG126 4.9 20.7 1.0

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