Chlorine in PDB 2hiy: The Structure of Conserved Bacterial Protein SP0830 From Streptococcus Pneumoniae. (Casp Target)

The structure of The Structure of Conserved Bacterial Protein SP0830 From Streptococcus Pneumoniae. (Casp Target), PDB code: 2hiy was solved by M.E.Cuff, M.Zhou, J.Abdullah, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.28 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.252, 108.845, 65.527, 90.00, 97.15, 90.00
R / Rfree (%)	16.3 / 19.4

The structure of The Structure of Conserved Bacterial Protein SP0830 From Streptococcus Pneumoniae. (Casp Target) also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the The Structure of Conserved Bacterial Protein SP0830 From Streptococcus Pneumoniae. (Casp Target) (pdb code 2hiy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Structure of Conserved Bacterial Protein SP0830 From Streptococcus Pneumoniae. (Casp Target), PDB code: 2hiy:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the The Structure of Conserved Bacterial Protein SP0830 From Streptococcus Pneumoniae. (Casp Target)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Conserved Bacterial Protein SP0830 From Streptococcus Pneumoniae. (Casp Target) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl7005 b:21.7 occ:1.00 O A:HOH8287 2.9 39.1 1.0 O A:HOH8131 2.9 32.7 1.0 O A:HOH8005 3.1 12.1 1.0 CB A:LYS124 3.9 12.5 1.0 CE A:LYS147 4.0 26.4 1.0 CB A:LYS147 4.1 13.8 1.0 CD A:LYS147 4.2 22.7 1.0 CB A:ASP125 4.3 11.3 1.0 N A:ASP125 4.4 11.9 1.0 CB A:SER144 4.4 13.5 1.0 CG A:LYS124 4.5 15.9 1.0 CD A:LYS124 4.6 17.6 1.0 CG A:LYS147 4.8 15.8 1.0 O A:HOH8411 4.9 47.6 1.0 CA A:LYS124 4.9 12.2 1.0 O A:SER144 4.9 13.5 1.0 C A:LYS124 5.0 11.8 1.0 CA A:ASP125 5.0 12.2 1.0

Chlorine binding site 2 out of 4 in the The Structure of Conserved Bacterial Protein SP0830 From Streptococcus Pneumoniae. (Casp Target)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of Conserved Bacterial Protein SP0830 From Streptococcus Pneumoniae. (Casp Target) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl7006 b:25.9 occ:1.00 OG1 A:THR117 3.1 13.0 1.0 CD2 A:PHE159 3.6 14.7 1.0 CG A:GLN113 3.8 12.8 1.0 CB A:THR117 3.8 12.2 1.0 CD A:PRO158 4.0 15.5 1.0 CG A:PRO158 4.1 17.9 1.0 O A:GLN113 4.1 11.8 1.0 CB A:PRO158 4.1 15.6 1.0 CG2 A:THR117 4.2 13.2 1.0 CB A:PHE159 4.3 15.8 1.0 NE2 A:GLN113 4.3 17.0 1.0 N A:PHE159 4.4 13.6 1.0 C A:GLN113 4.4 11.6 1.0 CG A:PHE159 4.4 14.1 1.0 CA A:VAL114 4.5 12.3 1.0 CE2 A:PHE159 4.5 14.2 1.0 N A:VAL114 4.5 11.7 1.0 CD A:GLN113 4.6 13.9 1.0 O A:HOH8172 4.7 24.9 1.0 N A:PRO158 4.7 14.0 1.0 CB A:GLN113 4.8 11.8 1.0 CA A:PRO158 4.9 14.8 1.0 CG2 A:VAL114 4.9 14.8 1.0 CA A:PHE159 4.9 14.3 1.0 C A:PRO158 4.9 14.5 1.0

Chlorine binding site 3 out of 4 in the The Structure of Conserved Bacterial Protein SP0830 From Streptococcus Pneumoniae. (Casp Target)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of Conserved Bacterial Protein SP0830 From Streptococcus Pneumoniae. (Casp Target) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl7004 b:16.3 occ:1.00 O B:HOH7072 3.0 21.0 1.0 OG1 B:THR170 3.1 16.7 1.0 O B:HOH7087 3.1 24.9 1.0 O B:HOH7248 3.2 42.7 1.0 N B:ASN167 3.3 13.7 1.0 CB B:THR170 3.6 16.0 1.0 CD B:ARG166 3.7 16.0 1.0 CA B:ARG166 3.7 14.7 1.0 CG B:ASN167 3.7 15.4 1.0 OD1 B:ASN167 3.8 16.4 1.0 ND2 B:ASN167 3.9 19.1 1.0 C B:ARG166 4.0 15.4 1.0 CB B:ARG166 4.1 14.8 1.0 CG2 B:THR170 4.1 16.4 1.0 CB B:ASN167 4.3 15.4 1.0 CA B:ASN167 4.3 13.8 1.0 CG B:ARG166 4.5 15.6 1.0 O B:ILE165 4.6 14.4 1.0 O B:HOH7143 4.7 31.6 1.0 NE B:ARG166 4.8 16.2 1.0 CD1 B:ILE40 4.8 19.0 1.0 O B:HOH7058 4.9 22.0 1.0 O B:ASN167 4.9 14.5 1.0 O B:HOH7100 4.9 22.4 1.0 CA B:THR170 4.9 14.8 1.0 N B:ARG166 4.9 14.0 1.0

Chlorine binding site 4 out of 4 in the The Structure of Conserved Bacterial Protein SP0830 From Streptococcus Pneumoniae. (Casp Target)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Structure of Conserved Bacterial Protein SP0830 From Streptococcus Pneumoniae. (Casp Target) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl7003 b:15.3 occ:1.00 OG1 C:THR170 3.0 15.0 1.0 O C:HOH7090 3.0 22.0 1.0 O C:HOH7124 3.1 30.6 1.0 O C:HOH7382 3.2 32.4 1.0 N C:ASN167 3.3 12.6 1.0 CB C:THR170 3.6 14.5 1.0 CG C:ASN167 3.7 14.4 1.0 OD1 C:ASN167 3.7 16.3 1.0 CA C:ARG166 3.7 14.2 1.0 CD C:ARG166 3.8 14.6 1.0 ND2 C:ASN167 3.8 17.2 1.0 C C:ARG166 4.0 14.5 1.0 CB C:ARG166 4.1 14.3 1.0 CG2 C:THR170 4.1 13.5 1.0 CB C:ASN167 4.2 13.7 1.0 CA C:ASN167 4.3 13.3 1.0 CG C:ARG166 4.6 15.4 1.0 O C:HOH7114 4.6 27.2 1.0 CD1 C:ILE40 4.7 17.4 1.0 O C:ILE165 4.8 14.4 1.0 O C:HOH7189 4.9 31.2 1.0 O C:HOH7150 4.9 28.9 1.0 NE C:ARG166 4.9 14.3 1.0 O C:ASN167 4.9 14.0 1.0 CA C:THR170 4.9 14.0 1.0

M.E.Cuff, M.Zhou, J.Abdullah, A.Joachimiak. The Structure of Conserved Bacterial Protein SP0830 From Streptococcus Pneumoniae. (Casp Target) To Be Published.