Manganese in PDB 6yjh: Crystal Structure of Imidazole Glycerol Phosphate Dehydratase From Mycobacterium Tuberculosis at 1.61 A Resolution

The structure of Crystal Structure of Imidazole Glycerol Phosphate Dehydratase From Mycobacterium Tuberculosis at 1.61 A Resolution, PDB code: 6yjh was solved by V.I.Timofeev, Y.A.Abramchik, T.A.Skvortsov, T.L.Azhikina, T.I.Muravieva, M.A.Kostromina, R.S.Esipov, I.P.Kuranova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.97 / 1.61
Space group	P 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	112.13, 112.13, 112.13, 90, 90, 90
R / Rfree (%)	15.1 / 17.5

The binding sites of Manganese atom in the Crystal Structure of Imidazole Glycerol Phosphate Dehydratase From Mycobacterium Tuberculosis at 1.61 A Resolution (pdb code 6yjh). 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 Imidazole Glycerol Phosphate Dehydratase From Mycobacterium Tuberculosis at 1.61 A Resolution, PDB code: 6yjh:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the Crystal Structure of Imidazole Glycerol Phosphate Dehydratase From Mycobacterium Tuberculosis at 1.61 A Resolution


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 Imidazole Glycerol Phosphate Dehydratase From Mycobacterium Tuberculosis at 1.61 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:9.9 occ:1.00 NE2 A:HIS73 2.2 9.7 1.0 O A:HOH431 2.2 12.1 1.0 NE2 A:HIS152 2.2 12.7 1.0 O A:HOH480 2.2 5.6 0.5 OE1 A:GLU77 2.2 10.7 1.0 CD2 A:HIS152 3.1 14.0 1.0 CD A:GLU77 3.1 11.5 1.0 CE1 A:HIS73 3.2 9.0 1.0 CE1 A:HIS152 3.2 18.6 1.0 CD2 A:HIS73 3.2 9.8 1.0 OE2 A:GLU77 3.6 12.3 1.0 CG A:HIS152 4.3 13.8 1.0 ND1 A:HIS152 4.3 21.0 1.0 ND1 A:HIS73 4.3 9.6 1.0 CG A:GLU77 4.3 10.3 1.0 CG A:HIS73 4.4 9.2 1.0 CB A:GLU77 4.6 10.0 1.0

Manganese binding site 2 out of 3 in the Crystal Structure of Imidazole Glycerol Phosphate Dehydratase From Mycobacterium Tuberculosis at 1.61 A Resolution


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 Imidazole Glycerol Phosphate Dehydratase From Mycobacterium Tuberculosis at 1.61 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:11.6 occ:1.00 OE1 A:GLU180 2.2 11.7 1.0 NE2 A:HIS176 2.2 10.8 1.0 NE2 A:HIS47 2.2 12.9 1.0 O A:HOH429 2.2 15.2 1.0 O A:HOH484 2.4 7.1 0.5 CD A:GLU180 3.1 15.0 1.0 CE1 A:HIS176 3.2 10.7 1.0 CD2 A:HIS176 3.2 11.4 1.0 CE1 A:HIS47 3.2 17.0 1.0 CD2 A:HIS47 3.2 12.8 1.0 OE2 A:GLU180 3.4 18.6 1.0 ND1 A:HIS176 4.3 10.3 1.0 CG A:HIS176 4.3 10.1 1.0 ND1 A:HIS47 4.4 15.5 1.0 CG A:HIS47 4.4 12.3 1.0 CG A:GLU180 4.5 12.4 1.0 CE A:MET107 4.6 21.5 1.0 CB A:GLU180 4.9 10.9 1.0 CE A:MET48 4.9 12.1 1.0

Manganese binding site 3 out of 3 in the Crystal Structure of Imidazole Glycerol Phosphate Dehydratase From Mycobacterium Tuberculosis at 1.61 A Resolution


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 Imidazole Glycerol Phosphate Dehydratase From Mycobacterium Tuberculosis at 1.61 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn303 b:22.1 occ:0.25 NH2 A:ARG168 3.3 18.0 1.0 NH1 A:ARG168 3.5 18.2 1.0 CZ A:ARG168 3.9 16.3 1.0 CZ A:PHE104 4.1 11.7 1.0 CE1 A:PHE104 4.4 11.1 1.0 CD1 A:LEU170 4.7 18.2 1.0

V.I.Timofeev, Y.A.Abramchik, T.A.Skvortsov, T.L.Azhikina, T.I.Muravieva, M.A.Kostromina, R.S.Esipov, I.P.Kuranova. Crystal Structure of Imidazole Glycerol Phosphate Dehydratase From Mycobacterium Tuberculosis at 1.61 A Resolution To Be Published.