Manganese in PDB 2qul: Crystal Structure of D-Tagatose 3-Epimerase From Pseudomonas Cichorii at 1.79 A Resolution

The structure of Crystal Structure of D-Tagatose 3-Epimerase From Pseudomonas Cichorii at 1.79 A Resolution, PDB code: 2qul 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)	47.50 / 1.79
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.439, 139.335, 92.495, 90.00, 104.78, 90.00
R / Rfree (%)	17.6 / 20.3

The binding sites of Manganese atom in the Crystal Structure of D-Tagatose 3-Epimerase From Pseudomonas Cichorii at 1.79 A Resolution (pdb code 2qul). 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 at 1.79 A Resolution, PDB code: 2qul:
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 at 1.79 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 D-Tagatose 3-Epimerase From Pseudomonas Cichorii at 1.79 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn291 b:15.5 occ:1.00 OD2 A:ASP185 2.1 12.9 1.0 OE2 A:GLU152 2.2 12.7 1.0 ND1 A:HIS211 2.2 14.1 1.0 O A:HOH514 2.3 21.1 1.0 OE1 A:GLU246 2.4 17.4 1.0 O A:HOH333 2.6 26.8 1.0 CE1 A:HIS211 3.1 12.4 1.0 CD A:GLU152 3.2 15.6 1.0 CG A:ASP185 3.2 13.8 1.0 CD A:GLU246 3.3 18.9 1.0 CG A:HIS211 3.3 12.7 1.0 OE2 A:GLU246 3.5 21.4 1.0 OE1 A:GLU152 3.6 14.0 1.0 CB A:HIS211 3.7 10.4 1.0 CB A:ASP185 3.8 11.5 1.0 NH2 A:ARG217 4.0 16.9 1.0 O A:HOH345 4.2 22.5 1.0 NE2 A:HIS188 4.2 8.3 1.0 NE2 A:HIS211 4.2 13.0 1.0 CD2 A:HIS188 4.2 8.4 1.0 OD1 A:ASP185 4.3 13.6 1.0 NE2 A:GLN183 4.4 12.7 1.0 CD2 A:HIS211 4.4 13.8 1.0 CG A:GLU152 4.5 12.6 1.0 CG A:GLU246 4.7 17.6 1.0 O A:HOH292 4.8 15.2 1.0 CB A:GLU246 4.9 14.2 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of D-Tagatose 3-Epimerase From Pseudomonas Cichorii at 1.79 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 D-Tagatose 3-Epimerase From Pseudomonas Cichorii at 1.79 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn291 b:15.1 occ:1.00 OD2 B:ASP185 2.1 10.6 1.0 OE2 B:GLU152 2.2 15.1 1.0 ND1 B:HIS211 2.2 12.8 1.0 O B:HOH292 2.3 16.2 1.0 OE1 B:GLU246 2.4 14.3 1.0 O B:HOH560 2.5 33.4 1.0 CE1 B:HIS211 3.1 13.1 1.0 CD B:GLU152 3.2 14.2 1.0 CG B:ASP185 3.2 11.6 1.0 CD B:GLU246 3.3 17.1 1.0 CG B:HIS211 3.3 12.5 1.0 OE2 B:GLU246 3.4 20.1 1.0 CB B:HIS211 3.7 10.7 1.0 OE1 B:GLU152 3.7 15.3 1.0 CB B:ASP185 3.8 10.9 1.0 NH2 B:ARG217 4.0 16.1 1.0 O B:HOH369 4.1 19.2 1.0 NE2 B:HIS211 4.2 14.0 1.0 OD1 B:ASP185 4.3 12.7 1.0 NE2 B:GLN183 4.4 11.0 1.0 CD2 B:HIS211 4.4 11.9 1.0 CD2 B:HIS188 4.4 8.3 1.0 NE2 B:HIS188 4.4 9.6 1.0 CG B:GLU152 4.5 11.3 1.0 CG B:GLU246 4.7 17.1 1.0 O B:HOH534 4.8 17.1 1.0 O B:HOH304 5.0 11.8 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of D-Tagatose 3-Epimerase From Pseudomonas Cichorii at 1.79 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 D-Tagatose 3-Epimerase From Pseudomonas Cichorii at 1.79 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn291 b:13.2 occ:1.00 OD2 C:ASP185 2.1 10.3 1.0 OE2 C:GLU152 2.2 13.4 1.0 ND1 C:HIS211 2.2 11.5 1.0 O C:HOH573 2.3 16.6 1.0 OE1 C:GLU246 2.4 12.9 1.0 O C:HOH482 2.6 20.8 1.0 CE1 C:HIS211 3.1 11.8 1.0 CD C:GLU152 3.2 14.4 1.0 CG C:HIS211 3.3 12.0 1.0 CD C:GLU246 3.3 16.8 1.0 CG C:ASP185 3.3 10.1 1.0 OE2 C:GLU246 3.4 20.6 1.0 OE1 C:GLU152 3.6 14.3 1.0 CB C:HIS211 3.6 10.4 1.0 CB C:ASP185 3.9 9.8 1.0 NH2 C:ARG217 4.0 12.8 1.0 NE2 C:HIS211 4.2 12.3 1.0 O C:HOH310 4.2 13.4 1.0 OD1 C:ASP185 4.3 11.1 1.0 NE2 C:GLN183 4.3 10.8 1.0 CD2 C:HIS211 4.3 11.4 1.0 CD2 C:HIS188 4.4 8.0 1.0 NE2 C:HIS188 4.5 9.9 1.0 CG C:GLU152 4.5 9.9 1.0 CG C:GLU246 4.7 15.7 1.0 O C:HOH298 4.8 16.1 1.0 CB C:GLU246 5.0 13.9 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of D-Tagatose 3-Epimerase From Pseudomonas Cichorii at 1.79 A Resolution


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 at 1.79 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn291 b:14.2 occ:1.00 OD2 D:ASP185 2.1 8.7 1.0 ND1 D:HIS211 2.1 10.0 1.0 OE2 D:GLU152 2.2 12.0 1.0 O D:HOH450 2.3 17.1 1.0 OE1 D:GLU246 2.4 18.7 1.0 O D:HOH351 2.8 26.4 1.0 CE1 D:HIS211 3.0 11.4 1.0 CG D:HIS211 3.2 8.5 1.0 CD D:GLU152 3.2 11.3 1.0 CG D:ASP185 3.2 8.3 1.0 CD D:GLU246 3.3 19.0 1.0 OE2 D:GLU246 3.5 24.0 1.0 CB D:HIS211 3.6 10.1 1.0 OE1 D:GLU152 3.6 13.0 1.0 CB D:ASP185 3.8 8.6 1.0 NH2 D:ARG217 4.1 18.6 1.0 NE2 D:HIS211 4.2 8.8 1.0 CD2 D:HIS188 4.2 9.5 1.0 OD1 D:ASP185 4.2 8.4 1.0 NE2 D:HIS188 4.3 9.5 1.0 CD2 D:HIS211 4.3 10.7 1.0 O D:HOH361 4.4 22.3 1.0 NE2 D:GLN183 4.4 12.0 1.0 CG D:GLU152 4.5 10.1 1.0 CG D:GLU246 4.6 18.4 1.0 O D:HOH298 4.7 13.9 1.0 CB D:GLU246 4.9 14.9 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