Manganese in PDB 2ou4: Crystal Structure of D-Tagatose 3-Epimerase From Pseudomonas Cichorii

The structure of Crystal Structure of D-Tagatose 3-Epimerase From Pseudomonas Cichorii, PDB code: 2ou4 was solved by H.Yoshida, M.Yamada, T.Nishitani, G.Takada, K.Izumori, S.Kamitori, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.80 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	76.797, 94.899, 91.732, 90.00, 102.81, 90.00
R / Rfree (%)	19.9 / 25.5

The binding sites of Manganese atom in the Crystal Structure of D-Tagatose 3-Epimerase From Pseudomonas Cichorii (pdb code 2ou4). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of D-Tagatose 3-Epimerase From Pseudomonas Cichorii, PDB code: 2ou4:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of D-Tagatose 3-Epimerase From Pseudomonas Cichorii


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 D-Tagatose 3-Epimerase From Pseudomonas Cichorii within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1001 b:25.0 occ:1.00 OD2 A:ASP185 2.1 26.6 1.0 OE2 A:GLU152 2.2 23.0 1.0 OE1 A:GLU246 2.3 25.0 1.0 ND1 A:HIS211 2.4 17.1 1.0 O A:HOH1134 2.6 25.3 1.0 OE2 A:GLU246 3.0 25.5 1.0 CD A:GLU246 3.0 23.2 1.0 CD A:GLU152 3.1 20.5 1.0 CE1 A:HIS211 3.2 18.4 1.0 CG A:ASP185 3.2 21.2 1.0 OE1 A:GLU152 3.4 22.0 1.0 CG A:HIS211 3.5 16.6 1.0 CB A:HIS211 3.9 15.2 1.0 NH2 A:ARG217 4.0 15.8 1.0 CB A:ASP185 4.0 19.3 1.0 OD1 A:ASP185 4.1 21.5 1.0 CD2 A:HIS188 4.1 14.0 1.0 NE2 A:HIS188 4.2 16.0 1.0 NE2 A:HIS211 4.4 14.9 1.0 NE2 A:GLN183 4.4 18.4 1.0 CG A:GLU152 4.4 18.2 1.0 CG A:GLU246 4.5 22.2 1.0 CD2 A:HIS211 4.5 15.1 1.0 O A:HOH1061 4.6 15.2 1.0 CB A:GLU246 4.9 20.7 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of D-Tagatose 3-Epimerase From Pseudomonas Cichorii


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 D-Tagatose 3-Epimerase From Pseudomonas Cichorii within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1002 b:26.7 occ:1.00 OD2 B:ASP185 2.0 14.6 1.0 OE2 B:GLU152 2.2 19.8 1.0 ND1 B:HIS211 2.2 17.1 1.0 OE1 B:GLU246 2.6 19.8 1.0 O B:HOH1152 2.8 18.8 1.0 CE1 B:HIS211 2.9 15.8 1.0 CD B:GLU152 3.1 19.9 1.0 CG B:ASP185 3.2 17.3 1.0 CD B:GLU246 3.4 19.6 1.0 OE2 B:GLU246 3.4 21.3 1.0 CG B:HIS211 3.4 16.6 1.0 OE1 B:GLU152 3.5 22.0 1.0 CB B:ASP185 3.8 17.5 1.0 CB B:HIS211 3.9 14.6 1.0 NH2 B:ARG217 4.0 15.1 1.0 O B:HOH1079 4.1 25.9 1.0 OD1 B:ASP185 4.2 21.1 1.0 NE2 B:HIS188 4.2 18.7 1.0 NE2 B:HIS211 4.2 14.1 1.0 CD2 B:HIS188 4.2 18.7 1.0 CD2 B:HIS211 4.4 15.8 1.0 CG B:GLU152 4.5 19.1 1.0 NE2 B:GLN183 4.5 9.5 1.0 CG B:GLU246 4.8 20.2 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of D-Tagatose 3-Epimerase From Pseudomonas Cichorii


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 D-Tagatose 3-Epimerase From Pseudomonas Cichorii within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn1003 b:32.8 occ:1.00 OD2 C:ASP185 1.9 17.7 1.0 OE2 C:GLU152 2.2 21.6 1.0 ND1 C:HIS211 2.5 19.3 1.0 OE2 C:GLU246 2.6 27.3 1.0 O C:HOH1088 3.0 41.4 1.0 CD C:GLU152 3.1 21.9 1.0 CG C:ASP185 3.1 19.0 1.0 CE1 C:HIS211 3.2 18.9 1.0 OE1 C:GLU246 3.3 27.7 1.0 CD C:GLU246 3.3 25.3 1.0 OE1 C:GLU152 3.4 24.6 1.0 CG C:HIS211 3.6 19.4 1.0 CB C:ASP185 4.0 17.0 1.0 OD1 C:ASP185 4.0 20.3 1.0 CB C:HIS211 4.0 18.1 1.0 NH2 C:ARG217 4.1 19.2 1.0 NE2 C:HIS188 4.3 21.8 1.0 CD2 C:HIS188 4.3 19.8 1.0 NE2 C:HIS211 4.4 17.7 1.0 CG C:GLU152 4.5 21.8 1.0 OE1 C:GLN183 4.5 15.3 1.0 CD2 C:HIS211 4.6 18.2 1.0 CG C:GLU246 4.8 24.3 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of D-Tagatose 3-Epimerase From Pseudomonas Cichorii


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of D-Tagatose 3-Epimerase From Pseudomonas Cichorii within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn1004 b:27.5 occ:1.00 OD2 D:ASP185 2.1 14.9 1.0 OE2 D:GLU152 2.2 22.0 1.0 ND1 D:HIS211 2.5 15.7 1.0 OE2 D:GLU246 2.5 17.8 1.0 O D:HOH1103 2.6 22.3 1.0 CD D:GLU152 3.2 20.1 1.0 CE1 D:HIS211 3.3 13.0 1.0 CD D:GLU246 3.3 19.8 1.0 OE1 D:GLU246 3.3 21.1 1.0 CG D:ASP185 3.3 15.3 1.0 OE1 D:GLU152 3.5 23.4 1.0 CG D:HIS211 3.6 13.7 1.0 CB D:ASP185 3.9 14.4 1.0 CB D:HIS211 4.0 14.1 1.0 NH2 D:ARG217 4.0 19.1 1.0 CD2 D:HIS188 4.2 12.7 1.0 NE2 D:HIS188 4.2 13.7 1.0 O D:HOH1066 4.3 27.7 1.0 OD1 D:ASP185 4.3 16.0 1.0 CG D:GLU152 4.4 17.4 1.0 NE2 D:HIS211 4.5 11.0 1.0 NE2 D:GLN183 4.5 11.0 1.0 CD2 D:HIS211 4.6 13.4 1.0 CG D:GLU246 4.7 19.6 1.0

H.Yoshida, M.Yamada, T.Nishitani, G.Takada, K.Izumori, S.Kamitori. Crystal Structures of D-Tagatose 3-Epimerase From Pseudomonas Cichorii and Its Complexes with D-Tagatose and D-Fructose J.Mol.Biol. V. 374 443 2007.
ISSN: ISSN 0022-2836
PubMed: 17936787
DOI: 10.1016/J.JMB.2007.09.033