Manganese in PDB 3mpb: Z5688 From E. Coli O157:H7 Bound to Fructose

The structure of Z5688 From E. Coli O157:H7 Bound to Fructose, PDB code: 3mpb 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)	34.27 / 1.91
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.425, 75.699, 62.022, 90.00, 106.54, 90.00
R / Rfree (%)	18.8 / 23.3

The binding sites of Manganese atom in the Z5688 From E. Coli O157:H7 Bound to Fructose (pdb code 3mpb). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Z5688 From E. Coli O157:H7 Bound to Fructose, PDB code: 3mpb:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Z5688 From E. Coli O157:H7 Bound to Fructose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Z5688 From E. Coli O157:H7 Bound to Fructose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1001 b:23.2 occ:1.00 OE2 A:GLU110 2.0 25.1 1.0 NE2 A:HIS105 2.1 20.9 1.0 O1 A:FRU229 2.1 29.9 1.0 O2 A:FRU229 2.2 37.1 1.0 NE2 A:HIS171 2.2 21.3 1.0 NE2 A:HIS103 2.5 26.2 1.0 CD A:GLU110 3.0 23.5 1.0 CE1 A:HIS105 3.0 21.4 1.0 C2 A:FRU229 3.0 37.1 1.0 CE1 A:HIS171 3.0 21.8 1.0 C1 A:FRU229 3.1 33.9 1.0 CD2 A:HIS105 3.2 22.1 1.0 CD2 A:HIS171 3.2 21.5 1.0 OE1 A:GLU110 3.4 28.3 1.0 CE1 A:HIS103 3.5 26.9 1.0 CD2 A:HIS103 3.5 25.4 1.0 O5 A:FRU229 3.5 38.5 1.0 ND1 A:HIS105 4.2 22.3 1.0 ND1 A:HIS171 4.2 21.5 1.0 CG A:HIS105 4.3 22.0 1.0 CG A:HIS171 4.3 20.8 1.0 CG A:GLU110 4.3 20.7 1.0 NZ A:LYS108 4.3 21.2 1.0 CE A:LYS108 4.4 19.7 1.0 C3 A:FRU229 4.4 36.6 1.0 ND1 A:HIS103 4.6 26.9 1.0 CG A:HIS103 4.6 25.5 1.0 O3 A:FRU229 4.7 35.1 1.0 C5 A:FRU229 4.8 38.8 1.0 C4 A:FRU229 4.9 37.6 1.0

Manganese binding site 2 out of 2 in the Z5688 From E. Coli O157:H7 Bound to Fructose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Z5688 From E. Coli O157:H7 Bound to Fructose within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1002 b:18.9 occ:1.00 OE1 B:GLU110 2.0 18.3 1.0 NE2 B:HIS105 2.1 16.3 1.0 O2 B:FRU228 2.1 26.8 1.0 NE2 B:HIS171 2.1 16.7 1.0 NE2 B:HIS103 2.3 20.3 1.0 O1 B:FRU228 2.3 23.3 1.0 CE1 B:HIS171 3.1 16.9 1.0 CD B:GLU110 3.1 20.6 1.0 C2 B:FRU228 3.1 27.5 1.0 CE1 B:HIS105 3.1 16.9 1.0 CD2 B:HIS105 3.1 17.4 1.0 CE1 B:HIS103 3.2 20.3 1.0 CD2 B:HIS171 3.2 17.5 1.0 CD2 B:HIS103 3.2 18.9 1.0 C1 B:FRU228 3.3 24.4 1.0 O5 B:FRU228 3.5 30.2 1.0 OE2 B:GLU110 3.5 25.4 1.0 ND1 B:HIS105 4.2 16.9 1.0 ND1 B:HIS171 4.2 17.2 1.0 CG B:HIS105 4.3 17.3 1.0 ND1 B:HIS103 4.3 19.6 1.0 CG B:HIS171 4.3 16.7 1.0 CG B:HIS103 4.3 18.5 1.0 NZ B:LYS108 4.3 16.7 1.0 CG B:GLU110 4.4 18.4 1.0 C3 B:FRU228 4.4 26.0 1.0 C5 B:FRU228 4.5 31.8 1.0 CE B:LYS108 4.6 14.3 1.0 C6 B:FRU228 4.7 34.8 1.0 C4 B:FRU228 4.8 28.5 1.0 O3 B:FRU228 4.8 24.1 1.0 CD1 B:ILE112 5.0 22.8 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