Calcium in PDB 5d9p: Crystal Structure of PBGH5A, A Glycoside Hydrolase Family 5 Enzyme From Prevotella Bryantii B14, in Complex with An Inhibitory N- Bromoacetylglycosylamine Derivative of Xxxg

The structure of Crystal Structure of PBGH5A, A Glycoside Hydrolase Family 5 Enzyme From Prevotella Bryantii B14, in Complex with An Inhibitory N- Bromoacetylglycosylamine Derivative of Xxxg, PDB code: 5d9p was solved by M.Morar, P.J.Stogios, X.Xu, H.Cui, R.Di Leo, V.Yim, A.Savchenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.92 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	48.192, 49.015, 85.972, 76.39, 89.98, 66.80
R / Rfree (%)	16.3 / 20.4

The binding sites of Calcium atom in the Crystal Structure of PBGH5A, A Glycoside Hydrolase Family 5 Enzyme From Prevotella Bryantii B14, in Complex with An Inhibitory N- Bromoacetylglycosylamine Derivative of Xxxg (pdb code 5d9p). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of PBGH5A, A Glycoside Hydrolase Family 5 Enzyme From Prevotella Bryantii B14, in Complex with An Inhibitory N- Bromoacetylglycosylamine Derivative of Xxxg, PDB code: 5d9p:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of PBGH5A, A Glycoside Hydrolase Family 5 Enzyme From Prevotella Bryantii B14, in Complex with An Inhibitory N- Bromoacetylglycosylamine Derivative of Xxxg


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of PBGH5A, A Glycoside Hydrolase Family 5 Enzyme From Prevotella Bryantii B14, in Complex with An Inhibitory N- Bromoacetylglycosylamine Derivative of Xxxg within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:28.9 occ:1.00 O A:HOH510 2.4 39.8 1.0 O A:HOH696 2.4 30.0 1.0 O B:HOH802 2.4 32.5 1.0 O A:HOH657 2.4 25.9 1.0 O A:HOH810 2.4 46.8 1.0 O A:HOH574 2.4 23.9 1.0 O A:HOH695 2.4 23.2 1.0 O A:PHE271 3.8 29.8 1.0 O A:THR272 4.0 42.5 1.0 O A:HOH660 4.4 26.3 1.0 O A:HIS317 4.6 19.6 1.0 C A:THR272 4.6 40.1 1.0 OG A:SER268 4.7 19.2 1.0 CA A:THR272 4.8 34.6 1.0 O A:ILE274 4.8 24.8 1.0 C A:PHE271 4.9 30.1 1.0 O A:HOH841 4.9 29.2 1.0 O A:SER268 4.9 21.7 1.0 CB A:SER268 5.0 19.7 1.0 O B:HOH752 5.0 36.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of PBGH5A, A Glycoside Hydrolase Family 5 Enzyme From Prevotella Bryantii B14, in Complex with An Inhibitory N- Bromoacetylglycosylamine Derivative of Xxxg


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of PBGH5A, A Glycoside Hydrolase Family 5 Enzyme From Prevotella Bryantii B14, in Complex with An Inhibitory N- Bromoacetylglycosylamine Derivative of Xxxg within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:28.8 occ:1.00 O B:THR272 2.4 36.9 1.0 O B:HOH795 2.4 31.7 1.0 O B:HOH579 2.4 23.1 1.0 O B:HOH722 2.4 32.5 1.0 O B:HOH554 2.4 25.9 1.0 O B:HOH660 2.4 26.0 1.0 O B:HOH520 2.4 38.9 1.0 C B:THR272 3.5 34.5 1.0 CA B:THR272 4.2 32.2 1.0 O B:HOH632 4.4 24.0 1.0 O B:HIS317 4.5 24.2 1.0 N B:THR273 4.6 33.6 1.0 O B:HOH776 4.6 29.4 1.0 O B:ILE274 4.7 26.2 1.0 N B:THR272 4.8 32.4 1.0 CA B:THR273 4.8 34.4 1.0 OG B:SER268 4.8 21.2 1.0 O B:SER268 4.9 23.7 1.0 OE1 B:GLN14 4.9 30.8 1.0 CB B:SER268 4.9 21.1 1.0 O B:HOH742 5.0 38.4 1.0 CA B:SER268 5.0 22.2 1.0 CE1 B:TYR276 5.0 18.3 1.0

N.Mcgregor, M.Morar, T.H.Fenger, P.Stogios, N.Lenfant, V.Yin, X.Xu, E.Evdokimova, H.Cui, B.Henrissat, A.Savchenko, H.Brumer. Structure-Function Analysis of A Mixed-Linkage Beta-Glucanase/Xyloglucanase From Key Ruminal Bacteroidetes Prevotella Bryantii B14. J.Biol.Chem. 2015.
ISSN: ESSN 1083-351X
PubMed: 26507654
DOI: 10.1074/JBC.M115.691659