Chlorine in PDB 3p8k: Crystal Structure of A Putative Carbon-Nitrogen Family Hydrolase From Staphylococcus Aureus

The structure of Crystal Structure of A Putative Carbon-Nitrogen Family Hydrolase From Staphylococcus Aureus, PDB code: 3p8k was solved by R.D.Gordon, W.Qiu, K.Battaile, K.Lam, M.Soloveychik, D.Benetteraj, V.Romanov, E.F.Pai, N.Y.Chirgadze, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.96 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.580, 61.980, 155.160, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 23

The binding sites of Chlorine atom in the Crystal Structure of A Putative Carbon-Nitrogen Family Hydrolase From Staphylococcus Aureus (pdb code 3p8k). 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 Carbon-Nitrogen Family Hydrolase From Staphylococcus Aureus, PDB code: 3p8k:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of A Putative Carbon-Nitrogen Family Hydrolase 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 Putative Carbon-Nitrogen Family Hydrolase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl263 b:16.7 occ:1.00 NZ A:LYS100 3.2 20.2 1.0 CE A:LYS100 4.3 26.6 1.0 O A:HOH274 4.6 25.9 1.0 O A:HOH342 4.6 31.4 1.0 CD A:LYS75 4.9 37.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of A Putative Carbon-Nitrogen Family Hydrolase 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 Putative Carbon-Nitrogen Family Hydrolase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl269 b:44.5 occ:1.00 OD2 A:ASP77 2.9 18.9 1.0 N A:ASP137 3.3 13.5 1.0 N A:SER136 3.5 12.8 1.0 OD1 A:ASP137 3.6 17.6 1.0 CB A:LEU135 3.7 10.9 1.0 CG A:ASP137 3.7 23.0 1.0 CB A:ASP137 3.8 14.4 1.0 O A:HOH411 3.9 24.1 1.0 CB A:SER136 3.9 15.7 1.0 CG A:ASP77 4.0 15.3 1.0 CA A:SER136 4.0 11.8 1.0 C A:SER136 4.1 16.1 1.0 C A:LEU135 4.2 15.1 1.0 CA A:ASP137 4.2 13.2 1.0 CB A:ASP35 4.3 16.9 1.0 CG2 A:VAL36 4.3 13.7 1.0 OD2 A:ASP137 4.4 27.2 1.0 O A:ASP35 4.4 18.6 1.0 CE A:MSE1 4.4 17.9 1.0 CA A:LEU135 4.5 11.5 1.0 CD1 A:LEU135 4.5 15.2 1.0 OD1 A:ASP77 4.7 19.1 1.0 CG A:LEU135 4.7 15.4 1.0 OD1 A:ASP35 4.8 25.8 1.0 CB A:ASP77 4.8 13.3 1.0 OG A:SER136 4.8 18.9 1.0 C A:ASP35 4.9 18.5 1.0 CG A:ASP35 4.9 24.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of A Putative Carbon-Nitrogen Family Hydrolase 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 Putative Carbon-Nitrogen Family Hydrolase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl270 b:36.3 occ:1.00 C3 A:PEG265 2.8 39.6 1.0 O A:HOH273 2.9 25.2 1.0 NH1 A:ARG150 3.0 12.7 1.0 NE A:ARG150 3.1 13.2 1.0 C4 A:PEG265 3.5 38.6 1.0 CZ A:ARG150 3.5 22.6 1.0 CZ2 A:TRP172 3.9 18.1 1.0 O2 A:PEG265 4.0 38.9 1.0 CH2 A:TRP172 4.1 18.2 1.0 O A:HOH287 4.1 45.8 1.0 CD1 A:TYR147 4.1 17.5 1.0 CE1 A:TYR147 4.3 19.2 1.0 CG A:ARG176 4.3 23.2 1.0 O A:HOH518 4.3 36.5 1.0 C2 A:PEG265 4.3 36.3 1.0 CD A:ARG150 4.3 10.5 1.0 CE2 A:TRP172 4.4 19.1 1.0 CZ3 A:TRP172 4.6 17.7 1.0 CB A:ARG176 4.6 18.2 1.0 O4 A:PEG265 4.7 42.7 1.0 NH2 A:ARG150 4.8 17.1 1.0 CD A:PRO173 4.9 20.6 1.0 CD2 A:TRP172 4.9 16.2 1.0 CG A:PRO173 4.9 25.2 1.0 NE1 A:TRP172 4.9 17.7 1.0 CG2 B:ILE249 5.0 20.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of A Putative Carbon-Nitrogen Family Hydrolase From Staphylococcus Aureus


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 Carbon-Nitrogen Family Hydrolase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl271 b:16.5 occ:1.00 OE2 A:GLU107 2.6 16.8 1.0 NE A:ARG87 2.7 15.2 1.0 ND2 A:ASN85 3.4 19.4 1.0 CA A:ASN59 3.4 12.3 1.0 CD A:ARG87 3.5 19.9 1.0 C A:ASN59 3.5 15.0 1.0 CD A:GLU107 3.6 14.5 1.0 CZ A:ARG87 3.6 21.4 1.0 NH1 A:ARG87 3.7 17.3 1.0 O A:ASN59 3.8 14.5 1.0 CG A:ARG87 3.9 19.4 1.0 OE1 A:GLU107 3.9 20.2 1.0 N A:LEU60 4.0 13.4 1.0 ND2 A:ASN59 4.1 24.7 1.0 CB A:ASN59 4.1 14.7 1.0 CG A:LEU60 4.1 17.2 1.0 CG A:ASN85 4.3 21.7 1.0 OD1 A:ASN85 4.4 13.7 1.0 CB A:LEU60 4.5 14.5 1.0 N A:ASN59 4.5 11.6 1.0 CG A:ASN59 4.6 31.7 1.0 CD1 A:LEU60 4.6 17.5 1.0 NH2 A:ARG87 4.9 15.7 1.0 CA A:LEU60 4.9 14.5 1.0 CG A:GLU107 5.0 14.6 1.0

W.Qiu, R.D.Gordon, K.Battaile, K.Lam, M.Soloveychik, D.Benetteraj, V.Romanov, E.F.Pai, N.Y.Chirgadze. Crystal Structure of Carbon-Nitrogen Family Hydrolase From Staphylococcus Aureus To Be Published.