Chlorine in PDB 4cgk: Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae

The structure of Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae, PDB code: 4cgk was solved by S.G.Bartual, D.Straume, G.A.Stamsas, C.Alfonso, M.Martinez-Ripoll, L.S.Havarstein, J.A.Hermoso, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.63 / 2.55
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	125.815, 125.815, 126.637, 90.00, 90.00, 120.00
R / Rfree (%)	23.761 / 27.173

The structure of Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae (pdb code 4cgk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae, PDB code: 4cgk:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1395 b:85.6 occ:1.00 NE2 A:HIS372 3.7 51.4 1.0 OG1 A:THR368 3.7 50.7 1.0 O A:ASN371 3.9 51.9 1.0 CD2 A:HIS372 3.9 51.8 1.0 CE1 A:HIS372 4.1 50.9 1.0 CA A:GLY370 4.3 48.2 1.0 CG A:HIS372 4.4 50.9 1.0 N A:ASN371 4.4 49.5 1.0 ND2 A:ASN366 4.4 54.0 1.0 C A:ASN371 4.5 50.9 1.0 C A:GLY370 4.5 48.1 1.0 ND1 A:HIS372 4.5 51.1 1.0 N A:GLY370 4.8 48.2 1.0 OD1 A:ASN366 4.9 53.0 1.0 CG A:ASN366 4.9 52.8 1.0 O A:ILE369 4.9 48.3 1.0 CB A:THR368 5.0 50.0 1.0

Chlorine binding site 2 out of 8 in the Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1396 b:85.0 occ:1.00 O A:HOH2236 3.3 65.0 1.0 N A:ARG367 3.6 49.6 1.0 CG A:ARG367 3.8 49.3 1.0 CB A:ARG367 3.9 48.9 1.0 CG2 B:VAL249 4.2 53.9 1.0 CA A:ARG367 4.3 48.8 1.0 O A:GLY365 4.3 49.3 1.0 CD A:ARG367 4.5 49.4 1.0 CA A:ASN366 4.6 51.1 1.0 OD1 A:ASN366 4.6 53.0 1.0 C A:ASN366 4.6 50.5 1.0 O B:HOH2094 4.7 63.0 1.0 N A:THR368 4.7 48.7 1.0 CB B:GLN245 4.8 58.7 1.0 CD B:GLN245 4.8 60.0 1.0 C A:ARG367 4.8 48.6 1.0 CG B:GLN245 4.8 58.6 1.0 O B:GLN245 4.9 58.0 1.0 CG2 A:THR368 4.9 50.8 1.0 NE2 B:GLN245 4.9 61.0 1.0 OG B:SER248 5.0 61.3 1.0

Chlorine binding site 3 out of 8 in the Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1397 b:81.8 occ:1.00 O B:LEU299 3.3 48.8 1.0 CB A:ASN256 3.5 57.1 1.0 N A:LEU257 3.8 56.4 1.0 CA A:ASN256 3.8 55.4 1.0 O B:HOH2125 4.0 63.4 1.0 O B:THR298 4.0 49.3 1.0 C B:LEU299 4.0 48.0 1.0 CD B:PRO301 4.0 46.5 1.0 O A:HOH2142 4.2 64.7 1.0 CA B:LEU299 4.3 47.8 1.0 C A:ASN256 4.3 55.6 1.0 CG B:PRO301 4.5 46.5 1.0 O A:HOH2141 4.6 71.8 1.0 O B:HOH2127 4.6 51.8 1.0 CB A:LEU257 4.7 57.5 1.0 CA A:LEU257 4.9 56.8 1.0 O A:HOH2058 4.9 68.9 1.0 CG A:ASN256 4.9 57.8 1.0 O A:THR255 4.9 57.1 1.0 C B:THR298 5.0 48.0 1.0

Chlorine binding site 4 out of 8 in the Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1398 b:80.7 occ:1.00 N A:ALA364 3.7 51.1 1.0 CD1 A:TYR363 3.9 53.5 1.0 O A:ASN362 3.9 49.9 1.0 CA A:TYR363 4.0 51.5 1.0 O A:HOH2248 4.2 66.5 1.0 CE1 A:TYR363 4.3 54.6 1.0 OE2 A:GLU383 4.4 51.5 1.0 CD A:GLU383 4.4 52.2 1.0 C A:TYR363 4.4 51.4 1.0 CG A:TYR363 4.5 53.4 1.0 O A:HOH2176 4.5 46.7 1.0 OE1 A:GLU383 4.6 53.9 1.0 CA A:ALA364 4.6 50.7 1.0 CB A:TYR363 4.8 52.3 1.0 ND1 A:HIS343 4.8 41.6 1.0 CG A:GLU383 4.8 50.9 1.0 C A:ASN362 4.8 50.3 1.0 CE1 A:HIS343 4.9 41.9 1.0 N A:TYR363 4.9 51.2 1.0

Chlorine binding site 5 out of 8 in the Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1399 b:0.5 occ:1.00 O1 A:EDO1394 3.0 86.7 1.0 O A:GLY384 3.4 46.1 1.0 O A:THR379 3.4 44.3 1.0 C A:GLY384 3.5 46.2 1.0 CA A:PHE385 3.6 44.0 1.0 N A:PHE385 3.7 45.0 1.0 C1 A:EDO1394 4.1 83.8 1.0 O A:HOH2245 4.3 36.3 1.0 O A:HOH2252 4.3 68.9 1.0 CA A:GLY384 4.4 47.8 1.0 CB A:PHE385 4.4 44.2 1.0 C A:THR379 4.5 43.8 1.0 CD1 A:PHE385 4.6 44.7 1.0 C A:PHE385 4.8 43.8 1.0 N A:VAL386 4.9 42.4 1.0

Chlorine binding site 6 out of 8 in the Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1400 b:76.3 occ:1.00 CL A:CL1401 3.6 0.1 1.0 O B:SER285 3.8 50.7 1.0 CA B:PRO288 4.1 47.3 1.0 ND2 A:ASN173 4.2 47.9 1.0 N B:PRO288 4.2 46.4 1.0 C B:TYR287 4.3 46.6 1.0 CG A:ASN173 4.3 46.7 1.0 O B:TYR287 4.4 47.5 1.0 CB B:PRO288 4.5 47.4 1.0 CG B:PRO288 4.6 46.7 1.0 CB A:ASN173 4.6 46.7 1.0 OD1 A:ASN173 4.7 45.5 1.0 O B:SER286 4.8 47.0 1.0 C B:SER286 4.8 47.5 1.0 O B:HOH2119 4.9 81.2 1.0 CD B:PRO288 4.9 46.4 1.0 N B:TYR287 4.9 46.6 1.0 C B:SER285 5.0 50.3 1.0

Chlorine binding site 7 out of 8 in the Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1401 b:0.1 occ:1.00 O B:HOH2118 3.1 44.0 1.0 O B:HOH2119 3.2 81.2 1.0 CL A:CL1400 3.6 76.3 1.0 CG1 B:ILE289 3.8 51.2 1.0 CD1 B:ILE289 4.1 52.1 1.0 N B:ILE289 4.2 48.9 1.0 O B:TYR287 4.3 47.5 1.0 CA B:PRO288 4.4 47.3 1.0 O B:SER285 4.7 50.7 1.0 C B:PRO288 4.7 48.1 1.0 CB B:ILE289 4.9 50.4 1.0

Chlorine binding site 8 out of 8 in the Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Essential Protein Pcsb From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1395 b:89.8 occ:1.00 O B:HOH2117 3.2 49.6 1.0 O B:HOH2118 3.2 44.0 1.0 CD1 B:ILE289 3.4 52.1 1.0 NE1 B:TRP294 4.0 45.8 1.0 CD2 A:LEU250 4.7 53.3 1.0 CD1 B:TRP294 4.8 45.8 1.0 CG1 B:ILE289 4.8 51.2 1.0 CE2 B:TRP294 5.0 45.6 1.0 CA B:SER285 5.0 50.5 1.0 O B:ALA284 5.0 50.4 1.0

S.G.Bartual, D.Straume, G.A.Stamsas, I.G.Munoz, C.Alfonso, M.Martinez-Ripoll, L.S.Havarstein, J.A.Hermoso. Structural Basis of Pcsb-Mediated Cell Separation in Streptococcus Pneumoniae. Nat.Commun. V. 5 3842 2014.
ISSN: ISSN 2041-1723
PubMed: 24804636
DOI: 10.1038/NCOMMS4842