Magnesium in PDB 2yl6: Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis

All present enzymatic activity of Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis:
3.2.1.52;

The structure of Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis, PDB code: 2yl6 was solved by B.Pluvinage, M.A.Higgins, D.W.Abbott, C.Robb, A.B.Dalia, L.Deng, J.N.Weiser, T.B.Parsons, A.J.Fairbanks, D.J.Vocadlo, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.83 / 1.60
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	78.286, 108.999, 112.433, 90.00, 90.00, 90.00
R / Rfree (%)	18.614 / 21.942

The binding sites of Magnesium atom in the Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis (pdb code 2yl6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis, PDB code: 2yl6:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1615 b:28.4 occ:1.00 O A:HOH2623 2.2 32.0 1.0 OG A:SER522 3.0 15.3 1.0 O A:HOH2624 3.1 38.6 1.0 N A:SER522 3.4 13.9 1.0 CB A:SER522 3.5 14.7 1.0 CD A:PRO521 3.5 13.5 1.0 CG2 A:THR520 3.6 15.3 1.0 N A:PRO521 3.8 13.3 1.0 O2 A:EDO1620 3.9 35.2 1.0 C2 A:EDO1620 4.0 34.6 1.0 C A:THR520 4.0 13.8 1.0 CA A:SER522 4.1 14.4 1.0 CG A:PRO521 4.1 13.2 1.0 CA A:THR520 4.1 14.4 1.0 C1 A:EDO1620 4.2 35.2 1.0 C A:PRO521 4.5 13.4 1.0 O A:HOH2001 4.5 43.3 1.0 CB A:THR520 4.5 14.8 1.0 CA A:PRO521 4.6 13.6 1.0 CE1 A:TYR261 4.7 17.4 1.0 CD1 A:TYR261 4.7 15.7 1.0 O A:THR520 4.8 14.2 1.0

Magnesium binding site 2 out of 2 in the Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1616 b:14.3 occ:1.00 O A:HOH2037 3.1 16.4 1.0 NZ A:LYS197 3.3 16.0 1.0 N A:TYR525 3.3 16.5 1.0 O A:HOH2487 3.4 37.7 1.0 ND2 A:ASN265 3.4 14.8 1.0 O2 A:EDO1625 3.6 45.0 1.0 CA A:ARG524 3.7 17.6 0.7 CE A:LYS197 3.8 14.2 1.0 C2 A:EDO1625 3.8 45.4 1.0 CA A:ARG524 3.8 16.9 0.3 O A:ALA523 4.0 17.0 1.0 C A:ARG524 4.0 17.1 0.7 C A:ARG524 4.0 16.7 0.3 CG A:ARG524 4.1 20.5 0.7 CB A:TYR525 4.1 16.4 1.0 O A:HOH2089 4.2 28.4 1.0 O A:HOH2025 4.2 13.5 1.0 CA A:TYR525 4.3 16.1 1.0 C1 A:EDO1625 4.4 45.2 1.0 CB A:ARG524 4.5 18.0 0.7 O A:HOH2024 4.5 16.6 1.0 CB A:ARG524 4.6 17.0 0.3 CG A:ARG524 4.6 17.7 0.3 CG A:ASN265 4.6 16.0 1.0 O A:TYR525 4.7 15.9 1.0 NH1 A:ARG524 4.7 22.6 0.3 N A:ARG524 4.7 16.7 0.7 N A:ARG524 4.7 16.6 0.3 C A:ALA523 4.8 16.7 1.0 O A:HOH2026 4.8 13.8 1.0 C A:TYR525 5.0 16.3 1.0

B.Pluvinage, M.A.Higgins, D.W.Abbott, C.Robb, A.B.Dalia, L.Deng, J.N.Weiser, T.B.Parsons, A.J.Fairbanks, D.J.Vocadlo, A.B.Boraston. Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis. Structure V. 19 1603 2011.
ISSN: ISSN 0969-2126
PubMed: 22078560
DOI: 10.1016/J.STR.2011.08.011