Manganese in PDB 6pbj: The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with GLY190PRO Mutation

All present enzymatic activity of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with GLY190PRO Mutation:
2.5.1.54;

The structure of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with GLY190PRO Mutation, PDB code: 6pbj was solved by W.Jiao, Y.Fan, N.J.Blackmore, E.J.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.83 / 1.90
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	204.251, 204.251, 66.551, 90.00, 90.00, 120.00
R / Rfree (%)	15.8 / 18

The structure of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with GLY190PRO Mutation also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Manganese atom in the The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with GLY190PRO Mutation (pdb code 6pbj). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with GLY190PRO Mutation, PDB code: 6pbj:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with GLY190PRO Mutation


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with GLY190PRO Mutation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn505 b:39.6 occ:0.50 OE2 A:GLU411 2.1 42.8 1.0 NE2 A:HIS369 2.5 56.2 1.0 SG A:CYS87 2.7 35.3 1.0 OE1 A:GLU411 2.7 39.0 1.0 CD A:GLU411 2.7 38.1 1.0 OD2 A:ASP441 2.8 46.2 1.0 CE1 A:HIS369 3.2 55.3 1.0 CD2 A:HIS369 3.6 50.3 1.0 CG A:ASP441 3.6 46.2 1.0 CB A:CYS87 3.7 23.4 1.0 CB A:ASP441 3.9 42.0 1.0 NH2 A:ARG382 4.0 42.9 1.0 CG A:GLU411 4.2 32.1 1.0 CA A:CYS87 4.2 21.0 1.0 NH2 A:ARG126 4.3 21.3 1.0 O A:HOH826 4.3 37.1 1.0 ND1 A:HIS369 4.4 54.7 1.0 O A:HOH796 4.4 27.8 1.0 CG A:HIS369 4.6 49.8 1.0 O A:CYS87 4.7 15.8 1.0 NH1 A:ARG382 4.7 46.6 1.0 OD1 A:ASP441 4.7 42.8 1.0 C A:CYS87 4.8 16.7 1.0 CZ A:ARG382 4.8 47.9 1.0 N A:ASP441 5.0 35.0 1.0

Manganese binding site 2 out of 2 in the The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with GLY190PRO Mutation


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with GLY190PRO Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn505 b:33.4 occ:0.50 OE2 B:GLU411 2.1 54.8 1.0 NE2 B:HIS369 2.5 53.4 1.0 SG B:CYS87 2.7 35.2 1.0 CD B:GLU411 2.7 41.5 1.0 OE1 B:GLU411 2.7 37.9 1.0 CE1 B:HIS369 3.3 61.2 1.0 CD2 B:HIS369 3.6 54.0 1.0 O B:HOH864 3.7 35.1 1.0 CB B:CYS87 4.0 24.6 1.0 CG B:GLU411 4.2 30.7 1.0 NH2 B:ARG126 4.2 14.9 1.0 CA B:CYS87 4.4 18.6 1.0 O B:CYS87 4.4 15.8 1.0 O B:HOH813 4.4 41.3 1.0 ND1 B:HIS369 4.5 53.1 1.0 CG B:HIS369 4.7 45.5 1.0 C B:CYS87 4.7 17.6 1.0 CZ B:ARG126 5.0 13.6 1.0

W.Jiao, Y.Fan, N.J.Blackmore, E.J.Parker. Single Amino Acid Substitution Severs Dynamic Communication Pathway To Be Published.