Manganese in PDB 3kmh: Crystal Structure of A Novel Sugar Isomerase From E. Coli O157:H7

All present enzymatic activity of Crystal Structure of A Novel Sugar Isomerase From E. Coli O157:H7:
5.3.1.15;

The structure of Crystal Structure of A Novel Sugar Isomerase From E. Coli O157:H7, PDB code: 3kmh was solved by L.M.Van Staalduinen, Z.Jia, Montreal-Kingston Bacterial Structuralgenomics Initiative (Bsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.50 / 1.58
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.350, 75.315, 61.778, 90.00, 106.29, 90.00
R / Rfree (%)	19.1 / 21.3

The binding sites of Manganese atom in the Crystal Structure of A Novel Sugar Isomerase From E. Coli O157:H7 (pdb code 3kmh). 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 A Novel Sugar Isomerase From E. Coli O157:H7, PDB code: 3kmh:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of A Novel Sugar Isomerase From E. Coli O157:H7


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 A Novel Sugar Isomerase From E. Coli O157:H7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1001 b:20.1 occ:1.00 NE2 A:HIS105 2.0 17.9 1.0 O A:HOH251 2.0 21.1 1.0 NE2 A:HIS171 2.1 14.9 1.0 OE2 A:GLU110 2.2 25.6 1.0 O A:HOH339 2.4 32.2 1.0 NE2 A:HIS103 2.4 21.6 1.0 CE1 A:HIS105 2.9 18.4 1.0 CE1 A:HIS171 3.0 16.8 1.0 CD2 A:HIS105 3.0 17.4 1.0 CD A:GLU110 3.1 22.6 1.0 CD2 A:HIS171 3.1 16.1 1.0 CD2 A:HIS103 3.4 20.8 1.0 OE1 A:GLU110 3.4 25.9 1.0 CE1 A:HIS103 3.4 21.1 1.0 ND1 A:HIS105 4.1 18.0 1.0 CG A:HIS105 4.1 17.7 1.0 ND1 A:HIS171 4.1 17.2 1.0 CG A:HIS171 4.2 16.3 1.0 CG A:GLU110 4.4 18.2 1.0 ND1 A:HIS103 4.5 20.7 1.0 CG A:HIS103 4.5 19.9 1.0 O A:HOH469 4.7 44.8 1.0 NZ A:LYS108 4.7 17.4 1.0 CE A:LYS108 4.8 15.5 1.0 O A:HOH256 5.0 28.0 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of A Novel Sugar Isomerase From E. Coli O157:H7


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 A Novel Sugar Isomerase From E. Coli O157:H7 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1002 b:16.2 occ:1.00 NE2 B:HIS105 2.0 10.1 1.0 O B:HOH266 2.0 13.9 1.0 NE2 B:HIS171 2.1 12.6 1.0 OE2 B:GLU110 2.2 23.7 1.0 NE2 B:HIS103 2.3 17.3 1.0 O B:HOH267 2.5 31.1 1.0 CE1 B:HIS105 2.9 12.7 1.0 CE1 B:HIS171 3.0 12.9 1.0 CD2 B:HIS105 3.1 11.9 1.0 CD2 B:HIS171 3.2 13.2 1.0 CD B:GLU110 3.2 20.0 1.0 CE1 B:HIS103 3.3 15.0 1.0 CD2 B:HIS103 3.3 15.1 1.0 OE1 B:GLU110 3.5 24.0 1.0 ND1 B:HIS105 4.1 13.2 1.0 CG B:HIS105 4.1 12.5 1.0 ND1 B:HIS171 4.2 13.4 1.0 CG B:HIS171 4.3 12.6 1.0 ND1 B:HIS103 4.3 15.2 1.0 CG B:HIS103 4.4 14.3 1.0 CG B:GLU110 4.5 15.8 1.0 C5 B:IPH228 4.8 30.6 1.0 NZ B:LYS108 4.8 14.8 1.0 CE B:LYS108 4.9 12.6 1.0

L.M.Van Staalduinen, C.S.Park, S.J.Yeom, M.A.Adams-Cioaba, D.K.Oh, Z.Jia. Structure-Based Annotation of A Novel Sugar Isomerase From the Pathogenic E. Coli O157:H7. J.Mol.Biol. V. 401 866 2010.
ISSN: ISSN 0022-2836
PubMed: 20615418
DOI: 10.1016/J.JMB.2010.06.063