Chlorine in PDB 3p8a: Crystal Structure of A Hypothetical Protein From Staphylococcus Aureus

The structure of Crystal Structure of A Hypothetical Protein From Staphylococcus Aureus, PDB code: 3p8a was solved by R.Lam, W.Qiu, K.Battaile, K.Lam, V.Romanov, T.Chan, E.Pai, N.Y.Chirgadze, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.15 / 1.95
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	148.180, 49.730, 67.850, 90.00, 90.00, 90.00
R / Rfree (%)	23.8 / 27

The binding sites of Chlorine atom in the Crystal Structure of A Hypothetical Protein From Staphylococcus Aureus (pdb code 3p8a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of A Hypothetical Protein From Staphylococcus Aureus, PDB code: 3p8a:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of A Hypothetical Protein From Staphylococcus Aureus


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 Hypothetical Protein From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl278 b:23.6 occ:1.00 OG1 A:THR204 2.9 11.6 1.0 N A:GLU161 3.1 18.1 1.0 O A:HOH375 3.3 25.3 1.0 N A:ILE162 3.6 12.7 1.0 CA A:THR204 3.7 8.8 1.0 CB A:THR204 3.7 9.3 1.0 CB A:GLU161 3.8 19.1 1.0 N A:THR204 3.9 10.0 1.0 CA A:GLU161 3.9 17.7 1.0 C A:ASP160 4.0 25.3 1.0 CA A:ASP160 4.0 24.5 1.0 CG2 A:THR204 4.1 8.7 1.0 O A:HOH295 4.2 10.3 1.0 CB A:ILE162 4.3 11.3 1.0 C A:GLU161 4.3 18.9 1.0 ND2 A:ASN207 4.3 10.7 1.0 C A:GLN203 4.4 12.5 1.0 O A:ILE162 4.4 10.8 1.0 CG A:GLU161 4.4 23.0 1.0 CA A:ILE162 4.5 10.2 1.0 CG1 A:ILE162 4.5 11.2 1.0 CB A:GLN203 4.7 12.8 1.0 CG A:GLN203 4.7 30.9 1.0 O A:GLN203 4.7 11.2 1.0 CB A:ASP160 4.8 26.1 1.0 OD1 A:ASP160 4.8 33.9 1.0 O A:ASP159 4.8 33.7 1.0 O A:ASN200 4.8 10.3 1.0 OG A:SER198 4.9 10.2 1.0 C A:ILE162 5.0 12.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A Hypothetical Protein From Staphylococcus Aureus


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 Hypothetical Protein From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl277 b:23.5 occ:1.00 O B:HOH352 2.8 21.5 1.0 OG1 B:THR204 3.0 10.7 1.0 N B:GLU161 3.1 15.2 1.0 N B:ILE162 3.6 11.4 1.0 OE1 B:GLN203 3.6 4.0 0.4 CA B:THR204 3.7 5.0 1.0 CB B:GLU161 3.8 14.1 1.0 CB B:THR204 3.8 11.4 1.0 CA B:GLU161 3.9 13.7 1.0 N B:THR204 3.9 6.1 1.0 CA B:ASP160 3.9 23.2 1.0 C B:ASP160 3.9 23.2 1.0 O B:HOH438 4.2 9.2 1.0 CG2 B:THR204 4.2 11.4 1.0 C B:GLU161 4.2 15.0 1.0 ND2 B:ASN207 4.3 7.4 1.0 CB B:ILE162 4.3 14.3 1.0 C B:GLN203 4.4 10.8 1.0 CG B:GLN203 4.4 5.1 0.4 CD B:GLN203 4.4 9.2 0.4 CG B:GLU161 4.4 22.8 1.0 O B:ILE162 4.4 11.3 1.0 CA B:ILE162 4.5 10.6 1.0 CG1 B:ILE162 4.6 16.6 1.0 CB B:ASP160 4.7 25.3 1.0 O B:ASP159 4.7 31.5 1.0 CB B:GLN203 4.7 6.6 0.4 O B:GLN203 4.7 8.9 1.0 OD1 B:ASP160 4.7 37.6 1.0 CG B:GLN203 4.7 15.3 0.6 O B:ASN200 4.8 5.5 1.0 CB B:GLN203 4.8 7.5 0.6 OG B:SER198 5.0 9.0 1.0 C B:ILE162 5.0 12.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of A Hypothetical Protein From Staphylococcus Aureus


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 Hypothetical Protein From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl279 b:45.3 occ:1.00 O B:HOH284 2.9 29.4 1.0 CD B:LYS123 3.7 32.4 1.0 CG2 B:VAL120 3.7 15.4 1.0 CE B:LYS123 4.2 44.1 1.0 CG1 B:VAL120 4.2 15.0 1.0 CB B:VAL120 4.3 15.7 1.0 CG B:LYS123 4.3 25.2 1.0 CA B:VAL120 4.3 12.5 1.0 CD1 B:LEU23 4.4 13.9 1.0 CB B:LYS123 4.5 16.6 1.0 NZ B:LYS123 4.6 38.1 1.0 CG B:LEU23 4.7 16.0 1.0 O B:TRP211 4.7 17.8 1.0 CD2 B:LEU23 4.8 16.1 1.0 O B:VAL120 4.9 12.2 1.0

W.Qiu, R.Lam, K.Battaile, K.Lam, V.Romanov, T.Chan, E.Pai, N.Y.Chirgadze. Crystal Structure of A Hypothetical Protein From Staphylococcus Aureus To Be Published.