Manganese in PDB 4xsl: Crystal Strcutre of D-Tagatose 3-Epimerase C66S From Pseudomonas Cichorii in Complex with Glycerol

The structure of Crystal Strcutre of D-Tagatose 3-Epimerase C66S From Pseudomonas Cichorii in Complex with Glycerol, PDB code: 4xsl was solved by H.Yoshida, A.Yoshihara, T.Ishii, K.Izumori, S.Kamitori, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.07 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.271, 124.552, 93.319, 90.00, 98.74, 90.00
R / Rfree (%)	17.8 / 20.5

The binding sites of Manganese atom in the Crystal Strcutre of D-Tagatose 3-Epimerase C66S From Pseudomonas Cichorii in Complex with Glycerol (pdb code 4xsl). 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 Strcutre of D-Tagatose 3-Epimerase C66S From Pseudomonas Cichorii in Complex with Glycerol, PDB code: 4xsl:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Strcutre of D-Tagatose 3-Epimerase C66S From Pseudomonas Cichorii in Complex with Glycerol


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Strcutre of D-Tagatose 3-Epimerase C66S From Pseudomonas Cichorii in Complex with Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:13.9 occ:1.00 OD2 A:ASP185 2.0 9.9 1.0 O2 A:GOL402 2.1 17.8 1.0 OE2 A:GLU152 2.1 12.6 1.0 ND1 A:HIS211 2.1 9.4 1.0 OE1 A:GLU246 2.5 19.0 1.0 O3 A:GOL402 2.5 23.4 1.0 CE1 A:HIS211 3.0 9.3 1.0 C2 A:GOL402 3.2 19.4 1.0 CD A:GLU152 3.2 11.3 1.0 CG A:ASP185 3.2 9.3 1.0 CG A:HIS211 3.2 9.3 1.0 C3 A:GOL402 3.3 21.5 1.0 CD A:GLU246 3.4 20.8 1.0 OE1 A:GLU152 3.6 12.4 1.0 OE2 A:GLU246 3.6 22.1 1.0 CB A:HIS211 3.7 8.6 1.0 CB A:ASP185 3.9 8.3 1.0 NH2 A:ARG217 4.0 11.5 1.0 NE2 A:HIS211 4.2 10.3 1.0 O A:HOH621 4.2 14.7 1.0 OD1 A:ASP185 4.2 12.0 1.0 NE2 A:GLN183 4.3 10.4 1.0 CD2 A:HIS188 4.3 9.2 1.0 CD2 A:HIS211 4.3 9.1 1.0 NE2 A:HIS188 4.3 10.1 1.0 C1 A:GOL402 4.4 17.4 1.0 CG A:GLU152 4.5 11.2 1.0 CG A:GLU246 4.8 17.9 1.0 O1 A:GOL402 4.9 14.0 1.0 O A:HOH617 5.0 10.5 1.0

Manganese binding site 2 out of 4 in the Crystal Strcutre of D-Tagatose 3-Epimerase C66S From Pseudomonas Cichorii in Complex with Glycerol


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Strcutre of D-Tagatose 3-Epimerase C66S From Pseudomonas Cichorii in Complex with Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn401 b:18.4 occ:1.00 OD2 B:ASP185 2.1 10.6 1.0 OE2 B:GLU152 2.1 13.6 1.0 ND1 B:HIS211 2.2 10.2 1.0 O2 B:GOL402 2.2 20.5 1.0 O3 B:GOL402 2.4 29.5 1.0 OE1 B:GLU246 2.5 17.9 1.0 CE1 B:HIS211 3.0 10.7 1.0 C2 B:GOL402 3.1 24.4 1.0 C3 B:GOL402 3.1 26.5 1.0 CD B:GLU152 3.2 13.2 1.0 CG B:ASP185 3.3 10.4 1.0 CG B:HIS211 3.3 9.7 1.0 CD B:GLU246 3.4 19.0 1.0 OE1 B:GLU152 3.6 12.4 1.0 OE2 B:GLU246 3.6 22.4 1.0 CB B:HIS211 3.8 9.9 1.0 CB B:ASP185 3.9 8.6 1.0 NH2 B:ARG217 4.1 14.7 1.0 NE2 B:HIS211 4.2 9.8 1.0 CD2 B:HIS188 4.3 7.8 1.0 O B:HOH686 4.3 21.6 1.0 NE2 B:HIS188 4.3 9.2 1.0 OD1 B:ASP185 4.3 13.3 1.0 NE2 B:GLN183 4.3 10.2 1.0 CD2 B:HIS211 4.3 11.7 1.0 C1 B:GOL402 4.4 23.2 1.0 CG B:GLU152 4.5 12.3 1.0 O B:HOH597 4.7 13.7 1.0 CG B:GLU246 4.8 16.7 1.0 O1 B:GOL402 4.9 17.9 1.0

Manganese binding site 3 out of 4 in the Crystal Strcutre of D-Tagatose 3-Epimerase C66S From Pseudomonas Cichorii in Complex with Glycerol


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Strcutre of D-Tagatose 3-Epimerase C66S From Pseudomonas Cichorii in Complex with Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn401 b:16.4 occ:1.00 OD2 C:ASP185 2.0 12.1 1.0 O2 C:GOL402 2.1 18.1 1.0 ND1 C:HIS211 2.1 12.4 1.0 OE2 C:GLU152 2.2 12.2 1.0 OE1 C:GLU246 2.3 16.2 1.0 O3 C:GOL402 2.5 26.6 1.0 CE1 C:HIS211 2.9 12.5 1.0 C2 C:GOL402 3.2 22.4 1.0 CD C:GLU246 3.2 17.2 1.0 CG C:ASP185 3.2 11.0 1.0 CD C:GLU152 3.2 11.9 1.0 C3 C:GOL402 3.3 24.0 1.0 CG C:HIS211 3.3 11.5 1.0 OE2 C:GLU246 3.4 20.9 1.0 OE1 C:GLU152 3.7 13.6 1.0 CB C:HIS211 3.7 10.0 1.0 CB C:ASP185 3.8 8.7 1.0 NH2 C:ARG217 3.9 12.1 1.0 NE2 C:HIS211 4.1 13.4 1.0 O C:HOH642 4.2 19.6 1.0 OD1 C:ASP185 4.2 12.2 1.0 CD2 C:HIS188 4.3 9.7 1.0 NE2 C:HIS188 4.3 10.4 1.0 CD2 C:HIS211 4.3 13.2 1.0 NE2 C:GLN183 4.4 11.5 1.0 C1 C:GOL402 4.4 20.2 1.0 CG C:GLU152 4.5 10.7 1.0 CG C:GLU246 4.6 17.2 1.0 O C:HOH604 4.8 12.4 1.0 O1 C:GOL402 4.8 14.7 1.0 CB C:GLU246 5.0 13.9 1.0

Manganese binding site 4 out of 4 in the Crystal Strcutre of D-Tagatose 3-Epimerase C66S From Pseudomonas Cichorii in Complex with Glycerol


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Strcutre of D-Tagatose 3-Epimerase C66S From Pseudomonas Cichorii in Complex with Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn401 b:15.7 occ:1.00 OD2 D:ASP185 2.0 11.0 1.0 OE2 D:GLU152 2.1 17.8 1.0 ND1 D:HIS211 2.2 15.2 1.0 O2 D:GOL402 2.2 18.1 1.0 OE1 D:GLU246 2.5 19.8 1.0 O3 D:GOL402 2.5 23.1 1.0 CE1 D:HIS211 3.0 14.3 1.0 CD D:GLU152 3.2 17.5 1.0 CG D:ASP185 3.2 11.2 1.0 C2 D:GOL402 3.2 20.4 1.0 CG D:HIS211 3.3 12.9 1.0 C3 D:GOL402 3.3 19.6 1.0 CD D:GLU246 3.4 21.2 1.0 OE2 D:GLU246 3.5 22.1 1.0 OE1 D:GLU152 3.6 16.2 1.0 CB D:HIS211 3.7 9.7 1.0 CB D:ASP185 3.9 9.8 1.0 NH2 D:ARG217 4.0 9.9 1.0 O D:HOH558 4.1 16.6 1.0 NE2 D:HIS211 4.2 14.7 1.0 OD1 D:ASP185 4.2 12.4 1.0 CD2 D:HIS188 4.3 10.9 1.0 CD2 D:HIS211 4.3 14.4 1.0 NE2 D:HIS188 4.4 12.2 1.0 NE2 D:GLN183 4.4 12.9 1.0 C1 D:GOL402 4.5 17.8 1.0 CG D:GLU152 4.5 15.1 1.0 CG D:GLU246 4.7 18.8 1.0 O1 D:GOL402 4.9 15.1 1.0 O D:HOH568 4.9 12.7 1.0

H.Yoshida, A.Yoshihara, T.Ishii, K.Izumori, S.Kamitori. X-Ray Structures of the Pseudomonas Cichorii D-Tagatose 3-Epimerase Mutant Form C66S Recognizing Deoxy Sugars As Substrates Appl. Microbiol. Biotechnol. V. 100 10403 2016.
ISSN: ESSN 1432-0614
PubMed: 27368739
DOI: 10.1007/S00253-016-7673-7