Calcium in PDB 2bib: Crystal Structure of the Complete Modular Teichioic Acid Phosphorylcholine Esterase Pce (Cbpe) From Streptococcus Pneumoniae

The structure of Crystal Structure of the Complete Modular Teichioic Acid Phosphorylcholine Esterase Pce (Cbpe) From Streptococcus Pneumoniae, PDB code: 2bib was solved by J.A.Hermoso, L.Lagartera, A.Gonzalez, P.Garcia, M.Martinez-Ripoll, J.L.Garcia, M.Menendez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.52 / 1.92
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	173.490, 58.120, 68.650, 90.00, 108.29, 90.00
R / Rfree (%)	19.4 / 23.3

The structure of Crystal Structure of the Complete Modular Teichioic Acid Phosphorylcholine Esterase Pce (Cbpe) From Streptococcus Pneumoniae also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of the Complete Modular Teichioic Acid Phosphorylcholine Esterase Pce (Cbpe) From Streptococcus Pneumoniae (pdb code 2bib). 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 the Complete Modular Teichioic Acid Phosphorylcholine Esterase Pce (Cbpe) From Streptococcus Pneumoniae, PDB code: 2bib:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Complete Modular Teichioic Acid Phosphorylcholine Esterase Pce (Cbpe) From Streptococcus Pneumoniae


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 the Complete Modular Teichioic Acid Phosphorylcholine Esterase Pce (Cbpe) From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1551 b:20.8 occ:1.00 OE2 A:GLU36 2.3 20.0 1.0 O A:ASP39 2.3 19.4 1.0 O A:HOH2128 2.4 22.4 1.0 OD1 A:ASP37 2.4 20.1 1.0 O A:HOH2056 2.4 21.3 1.0 O A:HOH2127 2.4 19.1 1.0 O A:ASP37 2.5 18.4 1.0 CD A:GLU36 3.5 20.0 1.0 CG A:ASP37 3.5 18.2 1.0 C A:ASP37 3.5 19.0 1.0 C A:ASP39 3.5 19.0 1.0 N A:ASP37 3.9 18.7 1.0 O A:HOH2026 4.1 24.3 1.0 O A:TYR38 4.1 18.4 1.0 OD2 A:ASP37 4.1 19.2 1.0 CA A:ASP37 4.1 18.7 1.0 C A:TYR38 4.2 19.2 1.0 CG A:GLU36 4.2 18.2 1.0 N A:ASP39 4.2 19.0 1.0 O A:GLU55 4.3 20.5 1.0 CB A:SER88 4.3 19.4 1.0 OE1 A:GLU36 4.4 17.9 1.0 CB A:ASP37 4.4 18.2 1.0 OD2 A:ASP124 4.4 19.1 1.0 CB A:PHE40 4.4 20.7 1.0 CA A:ASP39 4.5 19.4 1.0 N A:PHE40 4.5 20.0 1.0 N A:TYR38 4.5 18.8 1.0 CA A:PHE40 4.6 21.0 1.0 OG A:SER88 4.7 19.1 1.0 O A:HOH2008 4.8 19.4 1.0 CA A:TYR38 4.8 18.9 1.0 CB A:GLU55 4.9 19.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Complete Modular Teichioic Acid Phosphorylcholine Esterase Pce (Cbpe) From Streptococcus Pneumoniae


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 the Complete Modular Teichioic Acid Phosphorylcholine Esterase Pce (Cbpe) From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1552 b:24.1 occ:1.00 O A:GLY92 2.3 20.3 1.0 OD1 A:ASP95 2.3 22.3 1.0 OD2 A:ASP37 2.3 19.2 1.0 O A:HOH2030 2.4 26.1 1.0 O A:HOH2081 2.5 24.8 1.0 OE1 A:GLU96 2.5 21.0 1.0 OE2 A:GLU96 2.5 23.4 1.0 CD A:GLU96 2.8 23.4 1.0 CG A:ASP95 3.2 21.2 1.0 OD2 A:ASP95 3.2 20.8 1.0 CG A:ASP37 3.3 18.2 1.0 C A:GLY92 3.5 19.7 1.0 O A:HOH2026 3.8 24.3 1.0 CB A:ASP37 3.9 18.2 1.0 O A:HOH2079 4.1 20.9 1.0 OD1 A:ASP37 4.2 20.1 1.0 CG A:GLU96 4.4 21.6 1.0 CA A:ASN93 4.4 19.6 1.0 CB A:ASP39 4.4 18.7 1.0 N A:ASN93 4.4 19.4 1.0 CA A:GLY92 4.4 18.9 1.0 O A:HOH2084 4.5 35.7 1.0 CB A:ASP95 4.6 20.7 1.0 O A:HOH2083 4.6 24.1 1.0 N A:GLU96 4.7 21.5 1.0 N A:ASP95 4.7 20.6 1.0 O A:HOH2008 4.8 19.4 1.0 C A:ASN93 4.8 19.5 1.0 OD1 A:ASP39 4.8 19.2 1.0 N A:VAL94 4.9 20.2 1.0

J.A.Hermoso, L.Lagartera, A.Gonzalez, M.Stelter, P.Garcia, M.Martinez-Ripoll, J.L.Garcia, M.Menendez. Insights Into Pneumococcal Pathogenesis From Crystal Structure of the Modular Teichoic Acid Phosphorylcholine Esterase Pce Nat.Struct.Mol.Biol. V. 12 533 2005.
ISSN: ISSN 1545-9993
PubMed: 15895092
DOI: 10.1038/NSMB940