Chlorine in PDB 3nkh: Crystal Structure of Integrase From Mrsa Strain Staphylococcus Aureus

The structure of Crystal Structure of Integrase From Mrsa Strain Staphylococcus Aureus, PDB code: 3nkh was solved by Y.Kim, C.Tesar, P.Gornicki, 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)	46.66 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.278, 102.340, 157.256, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 18.9

The binding sites of Chlorine atom in the Crystal Structure of Integrase From Mrsa Strain Staphylococcus Aureus (pdb code 3nkh). 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 Integrase From Mrsa Strain Staphylococcus Aureus, PDB code: 3nkh:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Integrase From Mrsa Strain 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 Integrase From Mrsa Strain Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl221 b:99.7 occ:1.00 O A:HOH254 3.4 59.7 1.0 O A:HOH281 3.6 62.4 1.0 NH1 A:ARG101 3.9 56.9 1.0 CG A:LYS108 4.3 48.7 1.0 NH2 A:ARG101 4.4 54.9 1.0 CB A:LYS108 4.5 38.5 1.0 CZ A:ARG101 4.6 58.5 1.0 CD2 A:LEU35 4.7 40.7 1.0 OE1 A:GLU104 4.8 0.1 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Integrase From Mrsa Strain 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 Integrase From Mrsa Strain Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl223 b:46.6 occ:1.00 ND2 A:ASN132 3.1 42.3 1.0 N A:GLN139 3.2 47.9 1.0 O A:HOH244 3.2 47.1 1.0 CD A:ARG142 3.5 50.4 0.6 NE A:ARG142 3.6 55.8 0.6 NE2 A:GLN139 3.7 50.5 1.0 CZ A:PHE29 3.7 51.5 1.0 CB A:GLN139 3.7 47.3 1.0 CE1 A:PHE29 3.8 50.8 1.0 CB A:ASN132 3.9 31.2 1.0 CA A:MSE138 3.9 37.0 1.0 CG A:ASN132 3.9 40.8 1.0 CG A:MSE138 4.0 49.3 1.0 C A:MSE138 4.1 43.8 1.0 CA A:GLN139 4.1 45.0 1.0 CG A:GLN139 4.1 53.9 1.0 CD A:GLN139 4.2 66.8 1.0 CG A:ARG142 4.3 51.6 0.6 CB A:MSE138 4.6 42.7 1.0 CB A:ARG142 4.7 50.2 0.6 CB A:ARG142 4.7 50.5 0.4 O A:PRO137 4.7 44.4 1.0 CZ A:ARG142 4.8 59.7 0.6 CD A:ARG142 4.9 80.4 0.4 CG A:ARG142 5.0 60.9 0.4

Chlorine binding site 3 out of 4 in the Crystal Structure of Integrase From Mrsa Strain 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 Integrase From Mrsa Strain Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl222 b:40.5 occ:1.00 ND2 B:ASN132 3.2 43.2 1.0 N B:GLN139 3.3 34.5 1.0 CE2 B:PHE29 3.6 68.1 1.0 NH2 B:ARG142 3.7 58.1 0.5 CZ B:PHE29 3.7 71.5 1.0 NE2 B:GLN139 3.7 69.3 1.0 CD B:ARG142 3.8 58.7 0.5 CB B:GLN139 3.8 30.2 1.0 CG B:GLN139 3.8 44.1 1.0 CB B:ASN132 3.9 37.6 1.0 CG B:MSE138 4.0 40.9 1.0 CG B:ASN132 4.0 42.5 1.0 CD B:ARG142 4.1 77.8 0.5 CA B:MSE138 4.1 34.0 1.0 CD B:GLN139 4.1 58.0 1.0 CA B:GLN139 4.1 40.3 1.0 C B:MSE138 4.2 34.5 1.0 CG B:ARG142 4.2 56.2 0.5 CG B:ARG142 4.3 55.7 0.5 O B:HOH282 4.5 62.1 1.0 CB B:ARG142 4.5 46.5 0.5 CB B:ARG142 4.6 47.5 0.5 O B:HOH245 4.6 46.5 1.0 CZ B:ARG142 4.6 60.5 0.5 CB B:MSE138 4.7 31.0 1.0 NE B:ARG142 4.7 60.7 0.5 CD2 B:PHE29 4.9 69.0 1.0 O B:GLN139 4.9 36.0 1.0 O B:PRO137 4.9 39.3 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Integrase From Mrsa Strain 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 Integrase From Mrsa Strain Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl228 b:0.6 occ:1.00 NH1 B:ARG101 3.7 59.2 1.0 NH2 B:ARG101 4.3 52.7 1.0 OE2 B:GLU104 4.4 71.0 0.6 CZ B:ARG101 4.5 57.2 1.0 CG B:LYS108 4.6 57.0 1.0 CB B:LYS108 4.8 48.7 1.0 CG B:GLU104 4.8 53.9 0.6 CD B:GLU104 5.0 64.6 0.6

Y.Kim, C.Tesar, P.Gornicki, A.Joachimiak. Crystal Structure of Integrase From Mrsa Strain Staphylococcus Aureus To Be Published 2010.