Chlorine in PDB 2ww5: 3D-Structure of the Modular Autolysin Lytc From Streptococcus Pneumoniae at 1.6 A Resolution

All present enzymatic activity of 3D-Structure of the Modular Autolysin Lytc From Streptococcus Pneumoniae at 1.6 A Resolution:
3.2.1.17;

The structure of 3D-Structure of the Modular Autolysin Lytc From Streptococcus Pneumoniae at 1.6 A Resolution, PDB code: 2ww5 was solved by I.Perez-Dorado, R.Sanles, J.A.Hermoso, A.Gonzalez, A.Garcia, P.Garcia, J.L.Garcia, M.Menendez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.93 / 1.61
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.800, 69.380, 75.870, 90.00, 106.03, 90.00
R / Rfree (%)	18.327 / 20.417

The binding sites of Chlorine atom in the 3D-Structure of the Modular Autolysin Lytc From Streptococcus Pneumoniae at 1.6 A Resolution (pdb code 2ww5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 3D-Structure of the Modular Autolysin Lytc From Streptococcus Pneumoniae at 1.6 A Resolution, PDB code: 2ww5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 3D-Structure of the Modular Autolysin Lytc From Streptococcus Pneumoniae at 1.6 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 3D-Structure of the Modular Autolysin Lytc From Streptococcus Pneumoniae at 1.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:18.7 occ:1.00 O A:TYR117 2.8 14.4 1.0 O A:HOH2069 3.2 35.5 1.0 CG A:ASN85 3.3 18.9 1.0 O A:HOH2121 3.4 40.7 1.0 ND1 A:HIS119 3.4 21.8 1.0 OD1 A:ASN85 3.4 20.3 1.0 CB A:ASN85 3.5 17.3 1.0 N A:TYR117 3.5 15.9 1.0 CE1 A:HIS119 3.5 21.4 1.0 CB A:ALA116 3.7 17.2 1.0 CG A:TYR117 3.8 16.6 1.0 ND2 A:ASN85 3.8 22.7 1.0 C A:TYR117 3.8 15.2 1.0 CD1 A:TYR117 3.8 17.8 1.0 CD2 A:TYR117 3.8 18.0 1.0 CE1 A:TYR117 4.0 18.4 1.0 CE2 A:TYR117 4.0 17.8 1.0 C A:ALA116 4.0 16.5 1.0 CZ A:TYR117 4.1 18.0 1.0 CA A:TYR117 4.1 15.6 1.0 CA A:ALA116 4.3 16.8 1.0 CA A:ASN85 4.4 17.0 1.0 CB A:TYR117 4.5 16.7 1.0 O A:ASN85 4.5 16.4 1.0 CG A:HIS119 4.5 18.1 1.0 NE2 A:HIS119 4.6 22.1 1.0 O A:HOH2070 4.8 38.2 1.0 O A:ALA116 4.8 16.8 1.0 OH A:TYR117 4.8 18.9 1.0 C A:ASN85 5.0 16.4 1.0

Chlorine binding site 2 out of 2 in the 3D-Structure of the Modular Autolysin Lytc From Streptococcus Pneumoniae at 1.6 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 3D-Structure of the Modular Autolysin Lytc From Streptococcus Pneumoniae at 1.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:25.3 occ:1.00 O A:HOH2483 2.9 43.9 1.0 N A:SER409 3.2 19.7 1.0 OG A:SER409 3.4 21.7 0.5 N A:ARG408 3.6 18.3 1.0 CB A:SER409 3.6 21.1 1.0 O A:HOH2496 3.7 27.2 1.0 CB A:ARG408 3.8 18.1 1.0 CB A:TYR407 4.0 20.9 1.0 O A:ALA428 4.0 15.4 1.0 CA A:ARG408 4.0 18.5 1.0 CA A:SER409 4.0 20.8 1.0 C A:ARG408 4.1 19.2 1.0 CD1 A:TYR407 4.2 25.4 1.0 O A:HOH2482 4.2 51.4 1.0 C A:TYR407 4.2 18.8 1.0 CA A:TYR407 4.5 19.1 1.0 CG A:TYR407 4.6 23.6 1.0 CA A:ALA429 4.7 15.0 1.0 CB A:ALA429 4.8 15.8 1.0 CG A:ARG408 4.9 18.2 1.0 OG A:SER409 4.9 21.0 0.5 O A:TYR407 5.0 18.1 1.0 C A:ALA428 5.0 15.3 1.0

I.Perez-Dorado, A.Gonzalez, M.Morales, R.Sanles, W.Striker, W.Vollmer, S.Mobashery, J.L.Garcia, A.Garcia, M.Martinez-Ripoll, P.Garcia, J.A.Hermoso. Insights Into Pneumococcal Fratricide From the Crystal Structures of the Modular Killing Factor Lytc. Nat.Struct.Mol.Biol. V. 17 576 2010.
ISSN: ISSN 1545-9993
PubMed: 20400948
DOI: 10.1038/NSMB.1817