Manganese in PDB 5d04: Neisseria Meningitidis 3 Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase VAL223ALA Variant Regulated

All present enzymatic activity of Neisseria Meningitidis 3 Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase VAL223ALA Variant Regulated:
2.5.1.54;

The structure of Neisseria Meningitidis 3 Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase VAL223ALA Variant Regulated, PDB code: 5d04 was solved by L.C.Heyes, E.J.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	75.43 / 1.70
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	73.620, 75.430, 143.939, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 17.8

The structure of Neisseria Meningitidis 3 Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase VAL223ALA Variant Regulated also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Manganese atom in the Neisseria Meningitidis 3 Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase VAL223ALA Variant Regulated (pdb code 5d04). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Neisseria Meningitidis 3 Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase VAL223ALA Variant Regulated, PDB code: 5d04:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Neisseria Meningitidis 3 Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase VAL223ALA Variant Regulated


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Neisseria Meningitidis 3 Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase VAL223ALA Variant Regulated within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn401 b:17.3 occ:1.00 OD2 C:ASP324 2.1 19.2 1.0 OE2 C:GLU304 2.1 16.6 1.0 O C:HOH732 2.2 17.2 1.0 NE2 C:HIS270 2.3 18.9 1.0 SG C:CYS63 2.5 16.7 1.0 CD C:GLU304 2.9 16.3 1.0 CG C:ASP324 3.1 19.2 1.0 OE1 C:GLU304 3.1 17.9 1.0 CD2 C:HIS270 3.2 19.6 1.0 CE1 C:HIS270 3.3 19.0 1.0 CB C:ASP324 3.5 18.3 1.0 CB C:CYS63 3.5 15.7 1.0 CD C:LYS99 4.0 27.0 1.0 CA C:CYS63 4.1 15.7 1.0 OD1 C:ASP324 4.2 19.7 1.0 NH2 C:ARG94 4.2 21.7 1.0 NZ C:LYS99 4.2 28.9 1.0 O C:HOH557 4.2 21.1 1.0 CG C:GLU304 4.3 16.1 1.0 O C:HOH685 4.3 19.2 1.0 O C:HOH757 4.4 31.9 1.0 CG C:HIS270 4.4 19.0 1.0 ND1 C:HIS270 4.4 18.7 1.0 CE C:LYS99 4.6 29.1 1.0 O C:CYS63 4.7 16.7 1.0 O C:HOH733 4.7 22.4 1.0 CA C:ASP324 4.7 18.2 1.0 C C:CYS63 4.8 15.6 1.0 N C:ASP324 4.8 17.6 1.0 CZ C:ARG94 5.0 20.7 1.0

Manganese binding site 2 out of 2 in the Neisseria Meningitidis 3 Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase VAL223ALA Variant Regulated


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Neisseria Meningitidis 3 Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase VAL223ALA Variant Regulated within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn401 b:11.7 occ:1.00 OE2 D:GLU304 2.0 11.8 1.0 OD2 D:ASP324 2.1 13.1 1.0 O D:HOH768 2.1 15.5 1.0 NE2 D:HIS270 2.3 11.5 1.0 SG D:CYS63 2.6 12.6 1.0 CD D:GLU304 2.9 10.7 1.0 CG D:ASP324 3.1 13.6 1.0 OE1 D:GLU304 3.1 11.4 1.0 CE1 D:HIS270 3.2 11.3 1.0 CD2 D:HIS270 3.3 11.4 1.0 CB D:ASP324 3.5 12.8 1.0 CB D:CYS63 3.6 11.2 1.0 CE D:LYS99 4.1 22.5 1.0 NH2 D:ARG94 4.1 15.4 1.0 CA D:CYS63 4.1 10.8 1.0 OD1 D:ASP324 4.2 12.9 1.0 O D:HOH596 4.3 15.5 1.0 O D:HOH681 4.3 12.4 1.0 O D:HOH814 4.3 25.4 1.0 CG D:GLU304 4.3 10.4 1.0 CD D:LYS99 4.3 22.5 1.0 ND1 D:HIS270 4.4 11.3 1.0 CG D:HIS270 4.4 11.4 1.0 O D:HOH763 4.6 19.2 1.0 CG D:LYS99 4.6 21.4 1.0 O D:CYS63 4.7 10.6 1.0 NZ D:LYS99 4.7 23.8 1.0 C D:CYS63 4.8 10.7 1.0 CA D:ASP324 4.8 12.7 1.0 N D:ASP324 4.8 12.9 1.0 CZ D:ARG94 4.9 14.4 1.0

L.C.Heyes, E.J.Parker. Neisseria Meningitidis 3 Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase VAL223ALA Variant Regulated at 1.70 Angstroms Resolution To Be Published.