Manganese in PDB 2wje: Crystal Structure of the Tyrosine Phosphatase CPS4B From Steptococcus Pneumoniae TIGR4.

All present enzymatic activity of Crystal Structure of the Tyrosine Phosphatase CPS4B From Steptococcus Pneumoniae TIGR4.:
3.1.3.48;

The structure of Crystal Structure of the Tyrosine Phosphatase CPS4B From Steptococcus Pneumoniae TIGR4., PDB code: 2wje was solved by G.Hagelueken, H.Huang, J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.987 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.980, 58.540, 114.840, 90.00, 90.00, 90.00
R / Rfree (%)	13.85 / 19.02

The binding sites of Manganese atom in the Crystal Structure of the Tyrosine Phosphatase CPS4B From Steptococcus Pneumoniae TIGR4. (pdb code 2wje). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Crystal Structure of the Tyrosine Phosphatase CPS4B From Steptococcus Pneumoniae TIGR4., PDB code: 2wje:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the Crystal Structure of the Tyrosine Phosphatase CPS4B From Steptococcus Pneumoniae TIGR4.


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 the Tyrosine Phosphatase CPS4B From Steptococcus Pneumoniae TIGR4. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1244 b:29.6 occ:1.00 OE1 A:GLU80 2.2 14.9 1.0 NE2 A:HIS136 2.3 21.0 1.0 O A:HOH2380 2.4 32.1 1.0 O A:HOH2381 2.4 22.1 1.0 OE2 A:GLU108 2.4 17.6 1.0 CD A:GLU80 3.0 17.5 1.0 CD A:GLU108 3.1 20.3 1.0 CD2 A:HIS136 3.2 24.4 1.0 CE1 A:HIS136 3.3 22.0 1.0 OE2 A:GLU80 3.3 12.8 1.0 MN A:MN1245 3.5 10.0 1.0 OE1 A:GLU108 3.6 20.5 1.0 NH2 A:ARG139 3.6 42.1 1.0 CE1 A:HIS42 4.1 16.1 1.0 CZ A:ARG139 4.1 48.5 1.0 CB A:GLU108 4.2 10.2 1.0 CG A:GLU108 4.2 18.3 1.0 NH1 A:ARG139 4.2 49.0 1.0 CE1 A:HIS5 4.3 11.4 1.0 CG A:GLU80 4.3 8.6 1.0 ND1 A:HIS136 4.4 18.7 1.0 CG A:HIS136 4.4 18.3 1.0 NE2 A:HIS5 4.4 10.9 1.0 O A:HOH2227 4.5 31.2 1.0 OD2 A:ASP199 4.5 16.0 1.0 O A:HOH2382 4.6 16.5 1.0 O A:HOH2225 4.7 18.1 1.0 O A:HOH2104 4.8 42.4 1.0 ND1 A:HIS42 4.8 10.7 1.0 OD1 A:ASP199 4.9 9.2 1.0 CB A:ALA135 4.9 6.7 1.0

Manganese binding site 2 out of 3 in the Crystal Structure of the Tyrosine Phosphatase CPS4B From Steptococcus Pneumoniae TIGR4.


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 the Tyrosine Phosphatase CPS4B From Steptococcus Pneumoniae TIGR4. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1245 b:10.0 occ:1.00 O A:HOH2381 2.0 22.1 1.0 NE2 A:HIS7 2.1 8.4 1.0 NE2 A:HIS5 2.1 10.9 1.0 OE2 A:GLU80 2.1 12.8 1.0 OD1 A:ASP199 2.2 9.2 1.0 CD A:GLU80 3.0 17.5 1.0 CE1 A:HIS7 3.0 11.4 1.0 CE1 A:HIS5 3.1 11.4 1.0 CD2 A:HIS7 3.1 9.6 1.0 CD2 A:HIS5 3.1 6.1 1.0 CG A:ASP199 3.1 15.5 1.0 OE1 A:GLU80 3.3 14.9 1.0 OD2 A:ASP199 3.5 16.0 1.0 MN A:MN1244 3.5 29.6 1.0 CE1 A:HIS42 4.0 16.1 1.0 CE1 A:HIS201 4.0 14.6 1.0 ND1 A:HIS7 4.2 10.4 1.0 ND1 A:HIS5 4.2 10.9 1.0 CG A:HIS7 4.2 9.1 1.0 CG A:HIS5 4.2 6.2 1.0 CG A:GLU80 4.3 8.6 1.0 NE2 A:HIS42 4.3 14.2 1.0 CB A:ASP199 4.4 12.9 1.0 NE2 A:HIS201 4.4 14.0 1.0 CB A:GLU80 4.5 9.2 1.0 O A:HOH2380 4.5 32.1 1.0 MN A:MN1246 4.7 11.6 1.0 CA A:ASP199 4.7 9.8 1.0 ND1 A:HIS42 4.7 10.7 1.0 O A:HOH2382 4.8 16.5 1.0 O A:THR40 4.9 8.3 1.0 NE2 A:HIS136 5.0 21.0 1.0

Manganese binding site 3 out of 3 in the Crystal Structure of the Tyrosine Phosphatase CPS4B From Steptococcus Pneumoniae TIGR4.


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 the Tyrosine Phosphatase CPS4B From Steptococcus Pneumoniae TIGR4. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1246 b:11.6 occ:1.00 NE2 A:HIS42 2.1 14.2 1.0 O A:HOH2382 2.1 16.5 1.0 NE2 A:HIS201 2.1 14.0 1.0 OD1 A:ASP14 2.1 14.8 1.0 OD2 A:ASP14 2.6 14.7 1.0 CG A:ASP14 2.7 14.8 1.0 CD2 A:HIS42 3.0 13.3 1.0 CD2 A:HIS201 3.0 13.8 1.0 CE1 A:HIS42 3.1 16.1 1.0 CE1 A:HIS201 3.2 14.6 1.0 NH2 A:ARG206 3.8 48.9 1.0 NH1 A:ARG206 3.9 46.0 1.0 CE1 A:HIS7 4.0 11.4 1.0 O A:HOH2104 4.0 42.4 1.0 NE2 A:HIS7 4.1 8.4 1.0 O A:HOH2381 4.1 22.1 1.0 CG A:HIS42 4.2 10.2 1.0 CZ A:ARG206 4.2 49.8 1.0 ND1 A:HIS42 4.2 10.7 1.0 CB A:ASP14 4.2 17.2 1.0 CG A:HIS201 4.2 10.7 1.0 ND1 A:HIS201 4.2 11.5 1.0 ND1 A:HIS7 4.3 10.4 1.0 O A:HOH2052 4.3 38.2 1.0 O A:HOH2380 4.4 32.1 1.0 CD2 A:HIS7 4.5 9.6 1.0 CG A:HIS7 4.5 9.1 1.0 MN A:MN1245 4.7 10.0 1.0 CZ A:PHE48 4.7 17.8 1.0 CE1 A:PHE48 4.8 17.8 1.0

G.Hagelueken, H.Huang, I.L.Mainprize, C.Whitfield, J.H.Naismith. Crystal Structures of Wzb of Escherichia Coli and Cpsb of Streptococcus Pneumoniae, Representatives of Two Families of Tyrosine Phosphatases That Regulate Capsule Assembly. J.Mol.Biol. V. 392 678 2009.
ISSN: ISSN 0022-2836
PubMed: 19616007
DOI: 10.1016/J.JMB.2009.07.026