Manganese in PDB 5zqn: Crystal Structure of Mycobacterium Tuberculosis Hisb in Complex with A Ligand

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Hisb in Complex with A Ligand:
4.2.1.19;

The structure of Crystal Structure of Mycobacterium Tuberculosis Hisb in Complex with A Ligand, PDB code: 5zqn was solved by D.Kumar, R.K.Pal, B.K.Biswal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.19 / 1.80
Space group	P 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	112.715, 112.715, 112.715, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 18.7

The structure of Crystal Structure of Mycobacterium Tuberculosis Hisb in Complex with A Ligand also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Manganese atom in the Crystal Structure of Mycobacterium Tuberculosis Hisb in Complex with A Ligand (pdb code 5zqn). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Mycobacterium Tuberculosis Hisb in Complex with A Ligand, PDB code: 5zqn:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Hisb in Complex with A Ligand


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Mycobacterium Tuberculosis Hisb in Complex with A Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:18.3 occ:1.00 NE2 A:HIS73 2.2 14.7 1.0 O A:HOH436 2.2 18.4 1.0 NE2 A:HIS152 2.3 21.6 1.0 OE1 A:GLU77 2.3 17.9 1.0 CE1 A:HIS73 3.1 16.0 1.0 CD2 A:HIS152 3.1 24.2 1.0 CD A:GLU77 3.2 20.1 1.0 CE1 A:HIS152 3.3 25.8 1.0 CD2 A:HIS73 3.3 16.0 1.0 OE2 A:GLU77 3.6 19.9 1.0 ND1 A:HIS73 4.3 15.4 1.0 CG A:HIS152 4.3 21.6 1.0 ND1 A:HIS152 4.4 29.2 1.0 CG A:HIS73 4.4 15.4 1.0 CG A:GLU77 4.4 20.7 1.0 O A:HOH517 4.7 40.7 1.0 CB A:GLU77 4.7 19.1 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Hisb in Complex with A Ligand


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Mycobacterium Tuberculosis Hisb in Complex with A Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:20.8 occ:1.00 OE1 A:GLU180 2.2 18.6 1.0 NE2 A:HIS176 2.2 20.3 1.0 N2 A:IYP304 2.3 27.7 1.0 NE2 A:HIS47 2.3 21.1 1.0 O3 A:IYP304 2.4 27.5 1.0 C4 A:IYP304 2.8 32.5 1.0 C3 A:IYP304 2.9 41.8 1.0 CD A:GLU180 3.2 21.0 1.0 CE1 A:HIS176 3.2 20.8 1.0 CD2 A:HIS176 3.2 20.5 1.0 CD2 A:HIS47 3.3 21.5 1.0 CE1 A:HIS47 3.3 22.9 1.0 OE2 A:GLU180 3.5 24.4 1.0 C6 A:IYP304 3.5 28.9 1.0 C5 A:IYP304 4.1 30.6 1.0 C2 A:IYP304 4.3 49.4 1.0 ND1 A:HIS176 4.3 18.6 1.0 CG A:HIS176 4.3 18.6 1.0 ND1 A:HIS47 4.4 21.4 1.0 CG A:HIS47 4.5 20.4 1.0 N1 A:IYP304 4.5 27.0 1.0 CG A:GLU180 4.5 18.8 1.0 CE A:MET107 4.8 25.5 1.0 CE A:MET48 4.8 19.6 1.0 C1 A:IYP304 4.9 54.2 1.0 CB A:GLU180 4.9 16.8 1.0

D.Kumar, R.K.Pal, B.K.Biswal. Crystal Structure of Mycobacterium Tuberculosis Hisb in Complex with A Ligand To Be Published.