Zinc 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:

Calcium

(Ca)

2 atoms

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

Zinc 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 Zinc with other atoms in the Zn 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:Zn1549 b:25.4 occ:1.00 O3 A:PC1541 2.0 27.5 1.0 OD2 A:ASP89 2.0 22.5 1.0 NE2 A:HIS229 2.1 22.0 1.0 NE2 A:HIS90 2.1 20.5 1.0 OD1 A:ASP203 2.1 23.3 1.0 CD2 A:HIS90 2.9 18.3 1.0 CG A:ASP203 2.9 19.1 1.0 CD2 A:HIS229 2.9 18.9 1.0 CG A:ASP89 3.0 20.7 1.0 OD2 A:ASP203 3.0 19.2 1.0 CE1 A:HIS229 3.1 18.1 1.0 CE1 A:HIS90 3.2 21.0 1.0 OD1 A:ASP89 3.3 21.0 1.0 P1 A:PC1541 3.3 26.5 1.0 ZN A:ZN1550 3.6 27.0 1.0 O A:HOH2017 3.7 20.1 1.0 O4 A:PC1541 3.8 28.2 1.0 CG A:HIS90 4.1 20.3 1.0 CG A:HIS229 4.1 19.3 1.0 ND1 A:HIS229 4.2 18.1 1.0 ND1 A:HIS90 4.2 20.9 1.0 O2 A:PC1541 4.2 28.2 1.0 O1 A:PC1541 4.4 25.6 1.0 CB A:ASP89 4.4 19.8 1.0 CB A:ASP203 4.4 19.1 1.0 NE2 A:HIS85 4.5 21.3 1.0 CE1 A:HIS85 4.5 18.8 1.0 CD2 A:HIS228 4.5 16.1 1.0 O A:GLY17 4.9 20.8 1.0 O A:HOH2224 4.9 19.8 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn1550 b:27.0 occ:1.00 OD1 A:ASN183 2.0 23.5 1.0 O4 A:PC1541 2.0 28.2 1.0 OD1 A:ASP203 2.1 23.3 1.0 ND1 A:HIS87 2.1 19.9 1.0 NE2 A:HIS85 2.1 21.3 1.0 CG A:ASP203 2.9 19.1 1.0 CE1 A:HIS87 3.0 19.2 1.0 CD2 A:HIS85 3.0 16.5 1.0 CG A:ASN183 3.0 21.9 1.0 P1 A:PC1541 3.1 26.5 1.0 CE1 A:HIS85 3.1 18.8 1.0 CG A:HIS87 3.1 19.1 1.0 CB A:ASP203 3.2 19.1 1.0 O3 A:PC1541 3.5 27.5 1.0 ND2 A:ASN183 3.5 17.7 1.0 CB A:HIS87 3.5 18.5 1.0 ZN A:ZN1549 3.6 25.4 1.0 O2 A:PC1541 3.7 28.2 1.0 NE2 A:HIS90 4.0 20.5 1.0 OD2 A:ASP203 4.1 19.2 1.0 CD2 A:HIS90 4.1 18.3 1.0 NE2 A:HIS87 4.1 17.7 1.0 CG A:HIS85 4.2 19.1 1.0 ND1 A:HIS85 4.2 19.2 1.0 CD2 A:HIS87 4.2 18.8 1.0 CB A:ASN183 4.3 20.9 1.0 O1 A:PC1541 4.5 25.6 1.0 O A:HOH2190 4.5 26.6 1.0 CD2 A:HIS228 4.6 16.1 1.0 CA A:ASN183 4.6 20.5 1.0 OD1 A:ASP89 4.6 21.0 1.0 OD2 A:ASP181 4.7 21.2 1.0 CA A:ASP203 4.8 19.3 1.0 N A:ASN183 4.8 20.4 1.0 CE1 A:HIS90 4.9 21.0 1.0 NE2 A:HIS228 4.9 13.7 1.0 OD2 A:ASP89 5.0 22.5 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