Chlorine in PDB 3n08: Crystal Structure of A Putative Phosphatidylethanolamine-Binding Protein (Pebp) Homolog CT736 From Chlamydia Trachomatis D/Uw-3/Cx

The structure of Crystal Structure of A Putative Phosphatidylethanolamine-Binding Protein (Pebp) Homolog CT736 From Chlamydia Trachomatis D/Uw-3/Cx, PDB code: 3n08 was solved by J.S.Brunzelle, Z.Wawrzak, O.Onopriyenko, A.Savchenko, W.F.Anderson, Centerfor Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.19 / 1.25
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	37.115, 37.847, 55.101, 105.44, 96.50, 108.36
R / Rfree (%)	15.2 / 17.3

The structure of Crystal Structure of A Putative Phosphatidylethanolamine-Binding Protein (Pebp) Homolog CT736 From Chlamydia Trachomatis D/Uw-3/Cx also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Putative Phosphatidylethanolamine-Binding Protein (Pebp) Homolog CT736 From Chlamydia Trachomatis D/Uw-3/Cx (pdb code 3n08). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of A Putative Phosphatidylethanolamine-Binding Protein (Pebp) Homolog CT736 From Chlamydia Trachomatis D/Uw-3/Cx, PDB code: 3n08:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of A Putative Phosphatidylethanolamine-Binding Protein (Pebp) Homolog CT736 From Chlamydia Trachomatis D/Uw-3/Cx


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 A Putative Phosphatidylethanolamine-Binding Protein (Pebp) Homolog CT736 From Chlamydia Trachomatis D/Uw-3/Cx within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl154 b:11.3 occ:1.00 H A:CYS99 2.2 8.7 1.0 HH A:TYR107 2.7 9.5 1.0 OH A:TYR107 3.0 7.9 1.0 N A:CYS99 3.1 7.3 1.0 HE1 A:HIS62 3.1 11.3 1.0 O A:HOH448 3.2 14.5 1.0 HA A:PRO98 3.2 8.3 1.0 O A:HOH446 3.2 12.9 1.0 HE1 A:TYR107 3.3 7.4 1.0 HA A:PRO100 3.3 8.4 1.0 O A:HOH454 3.4 27.1 1.0 HE2 A:HIS62 3.4 12.7 1.0 C A:CYS99 3.5 7.6 1.0 N A:PRO100 3.5 7.2 1.0 HD3 A:PRO100 3.5 8.8 1.0 O A:HOH458 3.6 29.2 1.0 OD2 A:ASP47 3.6 8.2 1.0 HD1 A:HIS105 3.7 8.4 1.0 CE1 A:HIS62 3.7 9.5 1.0 CA A:CYS99 3.8 8.4 1.0 HB3 A:PRO100 3.8 9.0 1.0 NE2 A:HIS62 3.8 10.6 1.0 O A:CYS99 3.8 9.9 1.0 CA A:PRO100 3.9 7.1 1.0 CZ A:TYR107 3.9 6.2 1.0 CE1 A:TYR107 3.9 6.2 1.0 CA A:PRO98 4.0 6.9 1.0 C A:PRO98 4.0 7.7 1.0 CD A:PRO100 4.1 7.4 1.0 HB3 A:CYS99 4.2 11.8 1.0 ND1 A:HIS105 4.2 7.1 1.0 HE1 A:HIS105 4.3 8.7 1.0 CB A:PRO100 4.3 7.6 1.0 HB3 A:PRO98 4.5 10.9 1.0 CB A:CYS99 4.5 9.8 1.0 CE1 A:HIS105 4.5 7.2 1.0 HA A:CYS99 4.7 10.1 1.0 O A:PRO97 4.7 9.6 1.0 HD3 A:PRO101 4.7 11.2 1.0 HB2 A:CYS99 4.7 11.8 1.0 CG A:ASP47 4.8 6.5 1.0 HD2 A:PRO100 4.8 8.8 1.0 CG A:PRO100 4.8 7.5 1.0 CB A:PRO98 4.8 9.2 1.0 ND1 A:HIS62 5.0 9.2 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of A Putative Phosphatidylethanolamine-Binding Protein (Pebp) Homolog CT736 From Chlamydia Trachomatis D/Uw-3/Cx


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 A Putative Phosphatidylethanolamine-Binding Protein (Pebp) Homolog CT736 From Chlamydia Trachomatis D/Uw-3/Cx within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl155 b:11.4 occ:1.00 H A:GLN6 2.4 10.1 0.5 H A:GLN6 2.4 10.2 0.5 HG3 A:GLN6 2.7 29.1 0.5 HG A:SER30 2.9 15.2 1.0 HB2 A:PRO28 2.9 9.6 1.0 HA A:SER5 3.0 9.3 1.0 OG A:SER30 3.0 12.7 1.0 HE22 A:GLN6 3.1 49.7 0.5 O A:HOH197 3.2 12.9 1.0 HG2 A:GLN6 3.2 18.7 0.5 N A:GLN6 3.2 8.5 0.5 N A:GLN6 3.2 8.5 0.5 O A:HOH207 3.3 15.3 1.0 NE2 A:GLN6 3.3 41.5 0.5 HB3 A:GLN6 3.4 18.1 0.5 CG A:GLN6 3.4 24.3 0.5 CD A:GLN6 3.5 39.1 0.5 C A:LEU29 3.6 7.3 1.0 HA A:LEU29 3.6 8.1 1.0 N A:LEU29 3.7 6.9 1.0 C A:PRO28 3.7 8.0 1.0 N A:SER30 3.7 6.8 1.0 HE21 A:GLN6 3.7 49.7 0.5 HB2 A:GLN6 3.8 17.2 0.5 HB2 A:SER30 3.8 12.0 1.0 CA A:SER5 3.8 7.8 1.0 CA A:LEU29 3.8 6.8 1.0 CB A:PRO28 3.8 8.0 1.0 H A:SER30 3.9 8.1 1.0 CB A:SER30 3.9 10.0 1.0 C A:SER5 3.9 9.1 1.0 O A:PRO28 3.9 7.4 1.0 CG A:GLN6 3.9 15.6 0.5 O A:LEU29 4.0 8.7 1.0 H A:LEU29 4.0 8.2 1.0 CB A:GLN6 4.0 15.2 0.5 CB A:GLN6 4.0 14.4 0.5 HG2 A:PRO28 4.1 8.9 1.0 HG A:SER5 4.1 9.3 1.0 CA A:GLN6 4.2 10.3 0.5 OE1 A:GLN6 4.2 40.2 0.5 CA A:GLN6 4.2 10.2 0.5 O A:THR4 4.2 7.6 1.0 OE1 A:GLN6 4.2 41.2 0.5 HB2 A:ASN74 4.2 21.8 0.5 HG2 A:GLN6 4.3 29.1 0.5 CA A:PRO28 4.4 7.1 1.0 CA A:SER30 4.4 8.3 1.0 HB3 A:PRO28 4.5 9.6 1.0 CG A:PRO28 4.5 7.5 1.0 HG1 A:THR4 4.5 11.8 1.0 CD A:GLN6 4.6 35.5 0.5 N A:SER5 4.6 7.6 1.0 HA A:GLN6 4.6 12.2 0.5 HB2 A:ASN74 4.6 14.7 0.5 HA A:GLN6 4.7 12.3 0.5 HA A:SER30 4.7 9.9 1.0 C A:THR4 4.7 7.3 1.0 O A:HOH429 4.7 26.1 1.0 HG3 A:GLN6 4.7 18.7 0.5 HB3 A:SER30 4.8 12.0 1.0 OG A:SER5 4.8 7.8 1.0 HA A:PRO28 4.8 8.4 1.0 CB A:SER5 4.9 7.8 1.0 HB2 A:GLN6 4.9 18.1 0.5 O A:HOH173 4.9 23.2 1.0 H A:ALA7 4.9 10.3 0.6 HG3 A:PRO28 4.9 8.9 1.0 HB3 A:GLN6 4.9 17.2 0.5 H A:ALA7 5.0 10.3 0.4

Chlorine binding site 3 out of 4 in the Crystal Structure of A Putative Phosphatidylethanolamine-Binding Protein (Pebp) Homolog CT736 From Chlamydia Trachomatis D/Uw-3/Cx


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 A Putative Phosphatidylethanolamine-Binding Protein (Pebp) Homolog CT736 From Chlamydia Trachomatis D/Uw-3/Cx within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl151 b:11.3 occ:1.00 H B:CYS99 2.2 13.8 1.0 HE1 B:HIS62 3.0 14.2 1.0 OH B:TYR107 3.0 9.2 1.0 N B:CYS99 3.1 11.6 1.0 HA B:PRO98 3.2 12.1 1.0 HH B:TYR107 3.2 11.0 1.0 O B:HOH445 3.2 12.2 1.0 HE1 B:TYR107 3.3 10.0 1.0 HA B:PRO100 3.3 11.7 1.0 O B:HOH447 3.3 13.1 1.0 HE2 B:HIS62 3.4 13.4 1.0 C B:CYS99 3.5 11.0 1.0 N B:PRO100 3.6 10.0 1.0 O B:HOH508 3.6 26.1 1.0 CE1 B:HIS62 3.6 11.9 1.0 HD3 B:PRO100 3.6 13.7 1.0 OD2 B:ASP47 3.7 9.3 1.0 HD1 B:HIS105 3.7 11.7 1.0 O B:CYS99 3.7 11.9 1.0 NE2 B:HIS62 3.8 11.2 1.0 CA B:CYS99 3.8 10.8 1.0 CA B:PRO100 3.9 9.8 1.0 CZ B:TYR107 3.9 8.2 1.0 CE1 B:TYR107 3.9 8.4 1.0 HB3 B:PRO100 4.0 11.4 1.0 CA B:PRO98 4.0 10.1 1.0 C B:PRO98 4.0 11.2 1.0 CD B:PRO100 4.1 11.4 1.0 ND1 B:HIS105 4.2 9.8 1.0 HB3 B:CYS99 4.3 14.1 1.0 HE1 B:HIS105 4.3 11.5 1.0 CB B:PRO100 4.4 9.6 1.0 HB3 B:PRO98 4.5 13.4 1.0 HD3 B:PRO101 4.6 16.0 1.0 CE1 B:HIS105 4.6 9.6 1.0 CB B:CYS99 4.6 11.8 1.0 HA B:CYS99 4.6 12.8 1.0 O B:PRO97 4.7 12.0 1.0 HD2 B:PRO101 4.8 16.0 1.0 ND1 B:HIS62 4.9 10.9 1.0 CG B:ASP47 4.9 8.9 1.0 CB B:PRO98 4.9 11.2 1.0 HB2 B:CYS99 4.9 14.1 1.0 HD2 B:PRO100 4.9 13.7 1.0 CG B:PRO100 4.9 10.9 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of A Putative Phosphatidylethanolamine-Binding Protein (Pebp) Homolog CT736 From Chlamydia Trachomatis D/Uw-3/Cx


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 A Putative Phosphatidylethanolamine-Binding Protein (Pebp) Homolog CT736 From Chlamydia Trachomatis D/Uw-3/Cx within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl152 b:14.7 occ:1.00 H B:GLN6 2.3 12.8 1.0 HG3 B:GLN6 2.6 37.1 1.0 HG B:SER30 2.7 22.2 1.0 HA B:SER5 2.9 10.2 1.0 HB2 B:PRO28 2.9 13.9 1.0 OG B:SER30 2.9 18.5 1.0 N B:GLN6 3.1 10.7 1.0 CG B:GLN6 3.3 31.0 1.0 O B:HOH226 3.4 18.3 1.0 OD1 B:ASN74 3.4 31.8 0.6 CD B:GLN6 3.4 46.3 1.0 HA B:LEU29 3.5 9.4 1.0 OE1 B:GLN6 3.6 42.9 1.0 C B:LEU29 3.6 9.6 1.0 HB2 B:GLN6 3.6 22.6 1.0 N B:LEU29 3.7 8.8 1.0 CA B:SER5 3.7 8.6 1.0 N B:SER30 3.7 9.3 1.0 C B:PRO28 3.7 8.1 1.0 CA B:LEU29 3.8 7.8 1.0 H B:SER30 3.8 11.2 1.0 CB B:PRO28 3.9 11.6 1.0 CB B:GLN6 3.9 18.9 1.0 C B:SER5 3.9 10.6 1.0 O B:PRO28 3.9 8.5 1.0 HB2 B:SER30 3.9 13.8 1.0 CB B:SER30 3.9 11.5 1.0 HG B:SER5 3.9 11.8 1.0 O B:LEU29 4.0 10.7 1.0 H B:LEU29 4.1 10.5 1.0 HG2 B:PRO28 4.1 15.9 1.0 CA B:GLN6 4.1 12.3 1.0 NE2 B:GLN6 4.1 53.4 1.0 HG2 B:GLN6 4.1 37.1 1.0 O B:THR4 4.1 8.8 1.0 CA B:SER30 4.4 10.1 1.0 CA B:PRO28 4.4 8.2 1.0 HE22 B:GLN6 4.4 64.0 1.0 HB3 B:PRO28 4.5 13.9 1.0 CG B:PRO28 4.5 13.3 1.0 N B:SER5 4.6 7.6 1.0 HE21 B:GLN6 4.6 64.0 1.0 OG B:SER5 4.6 9.8 1.0 HA B:GLN6 4.6 14.8 1.0 HA B:SER30 4.6 12.1 1.0 HG1 B:THR4 4.6 14.4 1.0 CG B:ASN74 4.6 32.5 0.6 C B:THR4 4.7 7.7 1.0 CB B:SER5 4.7 8.6 1.0 HB3 B:SER30 4.8 13.8 1.0 H B:ALA7 4.8 12.9 1.0 OD1 B:ASN74 4.8 42.9 0.4 HB3 B:GLN6 4.8 22.6 1.0 HA B:PRO28 4.8 9.8 1.0 O B:HOH181 4.8 19.0 1.0 HB2 B:SER5 4.9 10.3 1.0 HG3 B:PRO28 4.9 15.9 1.0

J.S.Brunzelle, Z.Wawrzak, O.Onopriyenko, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.25 Angstrom Crystal Structure of A Putative Phosphatidylethanolamine-Binding Protein (Pebp) Homolog CT736 From Chlamydia Trachomatis D/Uw-3/Cx To Be Published.