Manganese in PDB 4lom: Crystal Structure of Mycobacterium Tuberculosis Hisb in Complex with Its Substrate

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

The structure of Crystal Structure of Mycobacterium Tuberculosis Hisb in Complex with Its Substrate, PDB code: 4lom was solved by M.S.Ahangar, R.Vyas, N.Nasir, B.K.Biswal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.50 / 2.10
Space group	P 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	112.514, 112.514, 112.514, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 24.9

The binding sites of Manganese atom in the Crystal Structure of Mycobacterium Tuberculosis Hisb in Complex with Its Substrate (pdb code 4lom). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Crystal Structure of Mycobacterium Tuberculosis Hisb in Complex with Its Substrate, PDB code: 4lom:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Hisb in Complex with Its Substrate


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 Its Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:22.0 occ:1.00 O A:HOH460 2.2 17.7 1.0 NE2 A:HIS152 2.3 23.5 1.0 NE2 A:HIS73 2.3 19.1 1.0 OE1 A:GLU77 2.3 27.4 1.0 CD A:GLU77 3.1 26.5 1.0 CD2 A:HIS152 3.1 23.4 1.0 CE1 A:HIS73 3.1 18.9 1.0 CE1 A:HIS152 3.3 23.4 1.0 CD2 A:HIS73 3.3 19.6 1.0 OE2 A:GLU77 3.4 26.9 1.0 CG A:GLU77 4.3 25.9 1.0 ND1 A:HIS73 4.3 18.9 1.0 CG A:HIS152 4.3 22.8 1.0 ND1 A:HIS152 4.4 23.6 1.0 CG A:HIS73 4.4 19.4 1.0 CB A:GLU77 4.7 25.3 1.0

Manganese binding site 2 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Hisb in Complex with Its Substrate


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 Its Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn303 b:24.2 occ:1.00 N2 A:IYP301 2.2 42.5 1.0 OE1 A:GLU180 2.2 25.3 1.0 NE2 A:HIS176 2.3 22.5 1.0 NE2 A:HIS47 2.4 26.1 1.0 O3 A:IYP301 2.5 43.2 1.0 C4 A:IYP301 2.8 44.3 1.0 C3 A:IYP301 3.1 47.1 1.0 CD2 A:HIS176 3.1 22.4 1.0 CD A:GLU180 3.2 22.9 1.0 CE1 A:HIS176 3.2 22.2 1.0 CD2 A:HIS47 3.3 24.9 1.0 C6 A:IYP301 3.4 41.8 1.0 CE1 A:HIS47 3.4 25.7 1.0 OE2 A:GLU180 3.5 23.7 1.0 C5 A:IYP301 4.1 43.4 1.0 CG A:HIS176 4.2 21.4 1.0 ND1 A:HIS176 4.2 21.6 1.0 N1 A:IYP301 4.3 41.6 1.0 CG A:GLU180 4.5 22.4 1.0 CG A:HIS47 4.5 24.4 1.0 C2 A:IYP301 4.5 50.7 1.0 ND1 A:HIS47 4.5 25.8 1.0 CE A:MET107 4.7 28.8 1.0 CE A:MET48 4.9 20.6 1.0 CB A:GLU180 4.9 21.2 1.0

Manganese binding site 3 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Hisb in Complex with Its Substrate


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Mycobacterium Tuberculosis Hisb in Complex with Its Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn304 b:41.7 occ:0.33 NH2 A:ARG168 3.3 23.6 1.0 NH1 A:ARG168 3.6 24.0 1.0 CZ A:ARG168 3.9 23.0 1.0 CZ A:PHE104 3.9 19.4 1.0 CE1 A:PHE104 4.4 20.0 1.0 CD1 A:LEU170 4.9 17.8 1.0

M.S.Ahangar, R.Vyas, N.Nasir, B.K.Biswal. Crystal Structures of the Native, Substrate- Bound and Inhibited Forms of Mycobacterium Tuberculosis Imidazole Glycerol Phosphate Dehydratase Acta Crystallogr.,Sect.D 2013.
ISSN: ISSN 0907-4449