Chlorine in PDB 6u44: Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form)

The structure of Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form), PDB code: 6u44 was solved by M.K.Fenwick, S.E.Ealick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	75.49 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	78.322, 106.814, 98.056, 90.00, 105.46, 90.00
R / Rfree (%)	18.7 / 24

The structure of Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form) also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form) (pdb code 6u44). 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 Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form), PDB code: 6u44:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form)


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 Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:67.0 occ:1.00 CB A:ASN553 3.3 65.1 1.0 N A:TYR551 3.4 53.1 1.0 CA A:TYR551 3.5 47.6 1.0 N A:ASN553 3.6 53.6 1.0 ND2 A:ASN553 3.8 78.3 1.0 C A:TYR551 3.8 44.7 1.0 CG A:ASN553 3.9 71.8 1.0 CA A:ASN553 4.0 57.8 1.0 N A:LEU552 4.0 43.5 1.0 N A:GLU554 4.2 53.9 1.0 OE1 A:GLU554 4.4 86.5 1.0 O A:TYR551 4.5 44.8 1.0 C A:GLN550 4.6 50.5 1.0 C A:ASN553 4.7 54.3 1.0 C A:LEU552 4.7 51.9 1.0 O A:ILE549 4.9 50.0 1.0 CB A:TYR551 4.9 40.4 1.0 OD1 A:ASN553 4.9 72.4 1.0 CG A:GLU554 5.0 73.2 1.0 CA A:LEU552 5.0 49.0 1.0 CA A:GLN550 5.0 48.8 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form)


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 Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl806 b:49.6 occ:1.00 NZ A:LYS581 2.9 38.6 1.0 O A:HOH1259 2.9 45.7 1.0 N A:GLN495 3.2 42.4 1.0 CG1 A:ILE498 3.6 45.3 1.0 CE A:LYS581 3.7 42.7 1.0 CB A:ILE498 3.8 41.7 1.0 CB A:GLN495 3.8 52.3 1.0 CD2 A:LEU494 3.8 39.5 1.0 CD A:LYS581 3.9 45.4 1.0 CG A:GLN495 3.9 55.1 1.0 CA A:LEU494 3.9 33.9 1.0 CE A:MET525 3.9 38.0 1.0 C A:LEU494 4.1 33.2 1.0 O A:HOH948 4.1 34.9 1.0 CG2 A:ILE498 4.1 42.2 1.0 CA A:GLN495 4.1 49.2 1.0 O A:PRO493 4.5 30.9 1.0 CB A:LEU494 4.6 36.9 1.0 O A:GLN495 4.8 45.7 1.0 CG A:LEU494 4.9 41.8 1.0 CD1 A:ILE498 4.9 51.6 1.0 C A:GLN495 5.0 45.5 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form)


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 Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl803 b:42.5 occ:1.00 O B:HOH1268 3.0 47.3 1.0 N B:GLN495 3.1 34.6 1.0 NZ B:LYS581 3.2 30.1 1.0 CG1 B:ILE498 3.4 28.0 1.0 CB B:ILE498 3.7 35.1 1.0 CB B:GLN495 3.8 43.4 1.0 CE B:LYS581 3.8 33.4 1.0 CD2 B:LEU494 3.8 26.2 1.0 CE B:MET525 3.9 34.6 1.0 CA B:LEU494 3.9 27.9 1.0 CD B:LYS581 3.9 32.4 1.0 C B:LEU494 4.0 23.9 1.0 CG B:GLN495 4.0 53.1 1.0 CG2 B:ILE498 4.0 31.3 1.0 CA B:GLN495 4.1 38.0 1.0 CB B:LEU494 4.4 37.0 1.0 O B:HOH1094 4.5 31.5 1.0 O B:HOH1293 4.5 54.9 1.0 CD1 B:ILE498 4.6 40.9 1.0 O B:PRO493 4.6 25.6 1.0 O B:GLN495 4.7 39.0 1.0 CG B:LEU494 4.8 33.0 1.0 C B:GLN495 4.9 42.2 1.0 OE1 B:GLU529 5.0 36.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form)


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 Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl804 b:60.9 occ:1.00 OH B:TYR187 3.3 43.1 1.0 O B:HOH1191 3.4 45.1 1.0 NE B:ARG191 3.5 55.6 1.0 O B:HOH1309 3.6 66.1 1.0 CE2 B:TYR187 3.6 48.6 1.0 CZ B:TYR187 3.9 40.9 1.0 CD B:ARG191 4.0 45.1 1.0 O B:HOH936 4.0 61.3 1.0 CZ B:ARG191 4.5 62.2 1.0 NH2 B:ARG191 4.7 61.8 1.0 CD2 B:TYR187 4.8 49.6 1.0 CG B:ARG191 4.9 42.4 1.0

M.K.Fenwick, S.E.Ealick. Structural Basis of Elongation Factor 2 Switching Curr Res Struct Biol V. 2 25 2020.
ISSN: ESSN 2665-928X
DOI: 10.1016/J.CRSTBI.2020.02.001