Manganese in PDB 5xds: Crystal Structure of Mycobacterium Tuberculosis Hisb Bound with An Inhibitor

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Hisb Bound with An Inhibitor:
4.2.1.19;

The structure of Crystal Structure of Mycobacterium Tuberculosis Hisb Bound with An Inhibitor, PDB code: 5xds was solved by D.Kumar, B.Jha, M.S.Ahangar, B.B.Kumar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.75
Space group	P 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	112.530, 112.530, 112.530, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 18.2

The structure of Crystal Structure of Mycobacterium Tuberculosis Hisb Bound with An Inhibitor also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Manganese atom in the Crystal Structure of Mycobacterium Tuberculosis Hisb Bound with An Inhibitor (pdb code 5xds). 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 Bound with An Inhibitor, PDB code: 5xds:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Hisb Bound with An Inhibitor


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 Bound with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:15.6 occ:0.80 NE2 A:HIS73 2.2 16.5 1.0 O A:HOH436 2.2 19.0 1.0 OE1 A:GLU77 2.2 17.1 1.0 N2 A:83O304 2.3 23.2 1.0 NE2 A:HIS152 2.3 20.4 1.0 CD A:GLU77 3.1 20.7 1.0 CE1 A:HIS73 3.1 16.6 1.0 C1 A:83O304 3.2 22.4 1.0 CD2 A:HIS152 3.2 20.2 1.0 CD2 A:HIS73 3.2 17.7 1.0 CE1 A:HIS152 3.3 24.2 1.0 C3 A:83O304 3.4 24.8 1.0 OE2 A:GLU77 3.5 21.2 1.0 C4 A:83O304 3.9 29.5 1.0 ND1 A:HIS73 4.3 16.4 1.0 CG A:GLU77 4.3 18.0 1.0 CG A:HIS73 4.4 18.6 1.0 N11 A:83O304 4.4 24.2 1.0 CG A:HIS152 4.4 18.9 1.0 ND1 A:HIS152 4.4 24.2 1.0 N10 A:83O304 4.5 24.6 1.0 O A:HOH408 4.5 29.5 1.0 CB A:GLU77 4.6 18.3 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Hisb Bound with An Inhibitor


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 Bound with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:14.9 occ:0.80 OE1 A:GLU180 2.2 19.3 1.0 NE2 A:HIS176 2.2 18.4 1.0 NE2 A:HIS47 2.3 20.3 1.0 O A:HOH426 2.4 20.8 1.0 CD A:GLU180 3.1 21.6 1.0 CE1 A:HIS176 3.2 17.4 1.0 CD2 A:HIS176 3.2 16.5 1.0 CE1 A:HIS47 3.2 24.2 1.0 CD2 A:HIS47 3.3 21.0 1.0 OE2 A:GLU180 3.4 22.6 1.0 ND1 A:HIS176 4.3 16.4 1.0 CG A:HIS176 4.3 16.8 1.0 ND1 A:HIS47 4.4 22.4 1.0 CG A:HIS47 4.4 19.6 1.0 CG A:GLU180 4.5 18.1 1.0 CE A:MET48 4.7 18.6 1.0 CE A:MET107 4.8 22.3 1.0 CB A:GLU180 4.9 15.4 1.0

D.Kumar, B.Jha, M.S.Ahangar, B.B.Kumar. Crystal Structure of Mycobacterium Tuberculosis Hisb Bound with An Inhibitor To Be Published.