Zinc in PDB 1qwr: Crystal Structure Analysis of the Mannose 6-Phosphate Isomerase From Bacillus Subtilis

All present enzymatic activity of Crystal Structure Analysis of the Mannose 6-Phosphate Isomerase From Bacillus Subtilis:
5.3.1.8;

The structure of Crystal Structure Analysis of the Mannose 6-Phosphate Isomerase From Bacillus Subtilis, PDB code: 1qwr was solved by Y.Kim, L.Lezondra, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.81 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.116, 72.534, 70.309, 90.00, 91.89, 90.00
R / Rfree (%)	19.6 / 23.2

The binding sites of Zinc atom in the Crystal Structure Analysis of the Mannose 6-Phosphate Isomerase From Bacillus Subtilis (pdb code 1qwr). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure Analysis of the Mannose 6-Phosphate Isomerase From Bacillus Subtilis, PDB code: 1qwr:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure Analysis of the Mannose 6-Phosphate Isomerase From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure Analysis of the Mannose 6-Phosphate Isomerase From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn604 b:52.1 occ:0.95 OE2 A:GLU116 2.5 20.8 1.0 NE2 A:HIS98 2.5 15.3 1.0 NE2 A:HIS173 2.6 21.5 1.0 O A:HOH737 2.6 36.0 1.0 CD A:GLU116 3.3 21.6 1.0 OE1 A:GLU116 3.3 21.4 1.0 CD2 A:HIS98 3.4 14.0 1.0 CD2 A:HIS173 3.4 21.6 1.0 CE1 A:HIS98 3.5 17.4 1.0 O A:HOH696 3.6 20.0 1.0 O A:HOH856 3.6 42.4 1.0 CE1 A:HIS173 3.6 23.5 1.0 O A:HOH700 3.6 33.5 1.0 CE A:LYS96 3.6 32.3 1.0 OE2 A:GLU183 3.9 21.7 1.0 CZ2 A:TRP118 4.3 20.4 1.0 CD A:LYS96 4.4 29.1 1.0 NZ A:LYS114 4.4 29.8 1.0 ND1 A:HIS98 4.6 16.8 1.0 CG A:HIS98 4.6 16.8 1.0 CG A:HIS173 4.6 21.9 1.0 ND1 A:HIS173 4.7 21.3 1.0 CG A:GLU116 4.7 17.4 1.0 CG A:LYS96 4.7 26.2 1.0 NE1 A:TRP118 4.8 15.2 1.0 NZ A:LYS96 4.8 29.0 1.0 O A:HOH624 4.9 25.7 1.0 CD A:GLU183 4.9 18.1 1.0 CE2 A:TRP118 5.0 18.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure Analysis of the Mannose 6-Phosphate Isomerase From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure Analysis of the Mannose 6-Phosphate Isomerase From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn605 b:39.7 occ:0.88 NE2 B:HIS98 2.1 17.8 1.0 OE2 B:GLU116 2.3 24.1 1.0 O B:HOH720 2.4 29.9 1.0 CE1 B:HIS173 2.6 17.2 1.0 CD2 B:HIS98 3.0 16.5 1.0 CD B:GLU116 3.0 21.4 1.0 OE1 B:GLU116 3.1 24.1 1.0 NE2 B:HIS173 3.2 22.4 1.0 CE1 B:HIS98 3.2 22.4 1.0 CE B:LYS96 3.3 41.3 1.0 O B:HOH717 3.6 36.1 1.0 O B:HOH719 3.6 35.0 1.0 ND1 B:HIS173 3.7 23.5 1.0 NZ B:LYS96 3.9 43.8 1.0 OE2 B:GLU183 4.1 20.2 1.0 CG B:HIS98 4.2 18.1 1.0 ND1 B:HIS98 4.2 19.7 1.0 O B:HOH679 4.3 27.3 1.0 CG B:GLU116 4.4 17.5 1.0 CD2 B:HIS173 4.4 16.0 1.0 CD B:LYS96 4.5 35.1 1.0 CG B:LYS96 4.7 30.5 1.0 CG B:HIS173 4.7 19.4 1.0 CE B:LYS114 4.7 29.9 1.0 CZ2 B:TRP118 4.8 20.1 1.0 O B:HOH628 4.9 26.6 1.0 NZ B:LYS114 4.9 31.1 1.0 CD B:GLU183 5.0 18.6 1.0

Y.Kim, L.Lezondra, A.Joachimiak. Crystal Structure Analysis of the Mannose 6-Phosphate Isomerase From Bacillus Subtilis To Be Published.