Chlorine in PDB 6plj: A Nucleotidyl Transferase From Methanothermobacter Thermautotroptrophicus (MTH528)

The structure of A Nucleotidyl Transferase From Methanothermobacter Thermautotroptrophicus (MTH528), PDB code: 6plj was solved by V.Carbone, L.Schofield, A.Sutherland-Smith, R.Ronimus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.79 / 1.59
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.656, 61.418, 72.227, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 20.2

The structure of A Nucleotidyl Transferase From Methanothermobacter Thermautotroptrophicus (MTH528) also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the A Nucleotidyl Transferase From Methanothermobacter Thermautotroptrophicus (MTH528) (pdb code 6plj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the A Nucleotidyl Transferase From Methanothermobacter Thermautotroptrophicus (MTH528), PDB code: 6plj:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the A Nucleotidyl Transferase From Methanothermobacter Thermautotroptrophicus (MTH528)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A Nucleotidyl Transferase From Methanothermobacter Thermautotroptrophicus (MTH528) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:41.5 occ:1.00 N A:ARG82 3.0 14.8 1.0 O A:HOH499 3.2 40.1 1.0 CA A:VAL81 3.7 13.6 1.0 CB A:ARG82 3.8 18.5 1.0 C A:VAL81 3.8 14.0 1.0 NH2 A:ARG96 3.8 25.5 0.7 CA A:ARG82 3.9 16.3 1.0 O A:ARG82 4.1 18.7 1.0 O A:VAL80 4.3 13.3 1.0 CB A:VAL81 4.3 14.7 1.0 O A:HOH579 4.4 31.7 1.0 C A:ARG82 4.5 16.9 1.0 CZ A:ARG96 4.7 23.0 0.7 CG1 A:VAL81 4.7 15.2 1.0 N A:VAL81 4.8 13.0 1.0 O A:HOH447 4.8 27.8 1.0 C A:VAL80 4.9 13.1 1.0 NH1 A:ARG96 5.0 24.2 0.7

Chlorine binding site 2 out of 3 in the A Nucleotidyl Transferase From Methanothermobacter Thermautotroptrophicus (MTH528)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of A Nucleotidyl Transferase From Methanothermobacter Thermautotroptrophicus (MTH528) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:50.1 occ:1.00 O A:HOH558 2.8 32.9 1.0 N A:ASN38 3.0 22.7 1.0 O A:HOH564 3.2 37.4 1.0 CA A:LEU37 3.6 19.1 1.0 OD1 A:ASN38 3.7 23.1 0.5 C A:LEU37 3.8 20.8 1.0 CA A:ASN38 3.9 23.1 0.5 CA A:ASN38 3.9 23.7 0.5 CD1 A:LEU37 3.9 19.7 1.0 CB A:PHE213 3.9 15.9 0.5 O A:HOH494 4.0 30.5 1.0 CG A:ARG210 4.1 18.3 1.0 CB A:PHE213 4.3 15.3 0.5 CG A:LEU37 4.3 19.5 1.0 CG A:ASN38 4.5 22.9 0.5 O A:ARG210 4.5 13.5 1.0 CB A:LEU37 4.5 19.7 1.0 N A:LEU37 4.6 17.2 1.0 CD2 A:LEU214 4.7 23.1 1.0 CG A:LEU214 4.7 22.0 1.0 O A:PRO36 4.7 16.2 1.0 CG A:PHE213 4.7 16.0 0.5 CD2 A:PHE213 4.8 16.1 0.5 CB A:ASN38 4.8 24.7 0.5 CB A:ASN38 4.8 23.2 0.5 CA A:ARG210 4.8 13.8 1.0 N A:LEU214 4.8 16.8 1.0 CB A:ARG210 4.9 15.8 1.0 C A:PHE213 5.0 16.4 0.5 O A:LEU37 5.0 20.0 1.0

Chlorine binding site 3 out of 3 in the A Nucleotidyl Transferase From Methanothermobacter Thermautotroptrophicus (MTH528)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of A Nucleotidyl Transferase From Methanothermobacter Thermautotroptrophicus (MTH528) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:46.9 occ:1.00 OD2 A:ASP104 3.6 23.4 1.0 CA A:GLY130 3.8 22.4 1.0 N A:GLY130 3.8 22.2 1.0 O A:HOH566 3.9 21.9 1.0 O A:ASP104 4.0 12.4 1.0 CB A:ASP104 4.2 16.4 1.0 O A:HOH585 4.2 38.4 1.0 CG A:ASP104 4.3 19.1 1.0 CD1 A:ILE105 4.5 14.3 1.0 N A:GLY2 4.6 26.2 0.7 C A:ASP129 4.7 21.9 1.0 C A:ASP104 4.7 13.1 1.0 CG1 A:ILE105 5.0 13.7 1.0 O A:HOH525 5.0 14.9 1.0

V.Carbone, L.Schofield, A.Sutherland-Smith, R.Ronimus. A Nucleotidyl Transferase From Methanothermobacter Thermautotroptrophicus (MTH528) To Be Published.