Manganese in PDB 3wqo: Crystal Structure of D-Tagatose 3-Epimerase-Like Protein

The structure of Crystal Structure of D-Tagatose 3-Epimerase-Like Protein, PDB code: 3wqo was solved by K.Uechi, G.Takata, K.Yoneda, T.Ohshima, H.Sakuraba, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.64
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	97.052, 102.387, 132.247, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 24.7

The binding sites of Manganese atom in the Crystal Structure of D-Tagatose 3-Epimerase-Like Protein (pdb code 3wqo). 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-Like Protein, PDB code: 3wqo:
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-Like Protein


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-Like Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1001 b:45.4 occ:1.00 OD2 A:ASP229 2.1 39.3 1.0 NE2 A:HIS195 2.4 33.7 1.0 NE2 A:HIS231 2.4 38.5 1.0 O A:HOH1106 2.8 28.1 1.0 O A:HOH1118 3.0 43.1 1.0 CG A:ASP229 3.0 40.4 1.0 OD1 A:ASP229 3.2 40.5 1.0 CE1 A:HIS231 3.2 38.4 1.0 CE1 A:HIS195 3.2 32.8 1.0 CD2 A:HIS195 3.4 34.2 1.0 CD2 A:HIS231 3.5 39.8 1.0 CE1 A:HIS222 4.2 35.3 1.0 NE2 A:HIS222 4.3 34.6 1.0 OD1 A:ASP192 4.4 32.3 1.0 ND1 A:HIS195 4.4 32.5 1.0 ND1 A:HIS231 4.4 39.8 1.0 CB A:ASP229 4.4 41.3 1.0 OE1 A:GLU260 4.5 40.9 1.0 CG A:HIS195 4.5 33.4 1.0 CG A:HIS231 4.6 40.7 1.0 CG A:ASP192 5.0 32.2 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of D-Tagatose 3-Epimerase-Like Protein


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-Like Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1002 b:35.6 occ:1.00 NE2 A:HIS119 2.2 31.2 1.0 OE1 A:GLU159 2.3 30.6 1.0 NE2 A:HIS78 2.4 30.8 1.0 O A:HOH1118 2.6 43.1 1.0 CD A:GLU159 3.0 30.9 1.0 OE2 A:GLU159 3.0 31.9 1.0 CE1 A:HIS119 3.1 31.7 1.0 CE1 A:HIS78 3.2 31.0 1.0 CD2 A:HIS119 3.2 30.8 1.0 CD2 A:HIS78 3.4 31.4 1.0 O A:HOH1106 3.7 28.1 1.0 CE1 A:HIS220 4.1 31.2 1.0 ND1 A:HIS119 4.3 31.4 1.0 CG A:HIS119 4.4 30.9 1.0 ND1 A:HIS78 4.4 31.6 1.0 CG A:GLU159 4.4 30.2 1.0 ND1 A:HIS220 4.5 31.3 1.0 CG A:HIS78 4.5 31.9 1.0 OE2 A:GLU260 4.6 40.0 1.0 CE1 A:HIS195 4.7 32.8 1.0 CG1 A:VAL117 4.9 30.1 1.0 CE1 A:PHE81 4.9 32.1 1.0 CB A:GLU159 5.0 29.6 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of D-Tagatose 3-Epimerase-Like Protein


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-Like Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1001 b:63.5 occ:1.00 NE2 B:HIS231 2.2 53.2 1.0 NE2 B:HIS195 2.3 48.0 1.0 OD2 B:ASP229 2.3 59.3 1.0 CE1 B:HIS231 3.0 52.6 1.0 CG B:ASP229 3.1 59.9 1.0 CE1 B:HIS195 3.2 47.1 1.0 OD1 B:ASP229 3.2 58.9 1.0 CD2 B:HIS195 3.3 49.4 1.0 CD2 B:HIS231 3.3 54.4 1.0 CE1 B:HIS222 4.0 56.9 1.0 OD1 B:ASP192 4.1 49.0 1.0 NE2 B:HIS222 4.1 55.7 1.0 ND1 B:HIS231 4.2 53.1 1.0 OE1 B:GLU260 4.3 49.0 1.0 ND1 B:HIS195 4.3 47.9 1.0 CG B:HIS231 4.4 54.3 1.0 CG B:HIS195 4.4 49.3 1.0 CB B:ASP229 4.6 61.2 1.0 CG B:ASP192 4.9 49.7 1.0 ND1 B:HIS222 5.0 58.7 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of D-Tagatose 3-Epimerase-Like Protein


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-Like Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1002 b:46.2 occ:1.00 NE2 B:HIS119 2.1 40.3 1.0 OE1 B:GLU159 2.3 42.5 1.0 NE2 B:HIS78 2.4 42.4 1.0 CE1 B:HIS119 3.0 40.7 1.0 CD B:GLU159 3.0 43.8 1.0 CD2 B:HIS119 3.2 40.0 1.0 OE2 B:GLU159 3.2 44.5 1.0 CE1 B:HIS78 3.4 40.8 1.0 CD2 B:HIS78 3.4 42.1 1.0 CE1 B:HIS220 4.0 44.8 1.0 ND1 B:HIS119 4.2 40.1 1.0 CG B:HIS119 4.3 39.7 1.0 ND1 B:HIS220 4.4 46.1 1.0 CG B:GLU159 4.4 43.8 1.0 ND1 B:HIS78 4.5 39.9 1.0 CG B:HIS78 4.6 40.8 1.0 OE2 B:GLU260 4.6 49.5 1.0 CE1 B:HIS195 4.8 47.1 1.0 CG1 B:VAL117 4.8 40.4 1.0 CB B:GLU159 5.0 43.0 1.0

K.Uechi, G.Takata, K.Yoneda, T.Ohshima, H.Sakuraba. Structure of D-Tagatose 3-Epimerase-Like Protein From Methanocaldococcus Jannaschii Acta Crystallogr.,Sect.F V. 70 890 2014.
ISSN: ISSN 1744-3091
DOI: 10.1107/S2053230X14011005