Chlorine in PDB 4bg8: Apo Form of A Putative Sugar Kinase MK0840 From Methanopyrus Kandleri (Monoclinic Space Group)

The structure of Apo Form of A Putative Sugar Kinase MK0840 From Methanopyrus Kandleri (Monoclinic Space Group), PDB code: 4bg8 was solved by M.Schacherl, S.M.Waltersperger, U.Baumann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.629 / 1.96
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.630, 73.280, 116.380, 90.00, 95.89, 90.00
R / Rfree (%)	17.64 / 20.86

The structure of Apo Form of A Putative Sugar Kinase MK0840 From Methanopyrus Kandleri (Monoclinic Space Group) also contains other interesting chemical elements:

Potassium

(K)

6 atoms

The binding sites of Chlorine atom in the Apo Form of A Putative Sugar Kinase MK0840 From Methanopyrus Kandleri (Monoclinic Space Group) (pdb code 4bg8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Apo Form of A Putative Sugar Kinase MK0840 From Methanopyrus Kandleri (Monoclinic Space Group), PDB code: 4bg8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Apo Form of A Putative Sugar Kinase MK0840 From Methanopyrus Kandleri (Monoclinic Space Group)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Apo Form of A Putative Sugar Kinase MK0840 From Methanopyrus Kandleri (Monoclinic Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1354 b:62.0 occ:1.00 O A:HOH2146 2.9 56.9 1.0 N A:GLU324 3.1 32.2 1.0 NH1 A:ARG328 3.1 32.3 1.0 N A:GLU323 3.5 38.7 1.0 C A:GLU324 3.6 30.6 1.0 CA A:GLU324 3.6 35.2 1.0 CD2 A:LEU325 3.7 27.0 1.0 CD A:ARG328 3.7 32.7 1.0 CA A:GLY322 3.8 37.9 1.0 CB A:GLU324 3.8 38.3 1.0 N A:LEU325 3.9 22.6 1.0 C A:GLY322 3.9 40.1 1.0 O A:GLU324 3.9 29.6 1.0 CH2 A:TRP61 4.1 36.3 1.0 C A:GLU323 4.2 38.6 1.0 CZ A:ARG328 4.2 38.0 1.0 NE A:ARG328 4.4 35.6 1.0 CA A:GLU323 4.4 40.8 1.0 CA A:LEU325 4.5 24.9 1.0 CG A:LEU325 4.5 28.5 1.0 CZ3 A:TRP61 4.6 27.9 1.0 O A:GLY322 4.8 39.9 1.0 CZ2 A:TRP61 4.8 35.9 1.0 CG A:ARG328 4.9 33.2 1.0

Chlorine binding site 2 out of 2 in the Apo Form of A Putative Sugar Kinase MK0840 From Methanopyrus Kandleri (Monoclinic Space Group)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Apo Form of A Putative Sugar Kinase MK0840 From Methanopyrus Kandleri (Monoclinic Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1354 b:60.5 occ:1.00 O B:HOH2162 2.9 44.3 1.0 N B:GLU324 3.3 31.9 1.0 NH1 B:ARG328 3.3 25.7 1.0 N B:GLU323 3.6 34.4 1.0 CD B:ARG328 3.7 32.2 1.0 C B:GLU324 3.8 31.0 1.0 CD2 B:LEU325 3.8 28.2 1.0 CA B:GLY322 3.9 37.5 1.0 CA B:GLU324 3.9 31.9 1.0 C B:GLY322 4.0 37.0 1.0 CH2 B:TRP61 4.0 31.3 1.0 CB B:GLU324 4.1 33.3 1.0 O B:GLU324 4.1 32.2 1.0 N B:LEU325 4.1 18.9 1.0 O B:HOH2159 4.1 42.3 1.0 CZ B:ARG328 4.4 37.4 1.0 C B:GLU323 4.4 38.6 1.0 NE B:ARG328 4.5 35.1 1.0 CA B:GLU323 4.6 36.8 1.0 CZ3 B:TRP61 4.6 27.8 1.0 OE1 B:GLU324 4.6 63.6 1.0 CA B:LEU325 4.7 22.3 1.0 CZ2 B:TRP61 4.7 30.9 1.0 CG B:LEU325 4.7 27.2 1.0 CG B:ARG328 4.9 37.6 1.0 O B:GLY322 4.9 33.7 1.0

M.Schacherl, S.M.Waltersperger, U.Baumann. Structural Characterization of the Ribonuclease H-Like Type Askha Superfamily Kinase MK0840 From Methanopyrus Kandleri Acta Crystallogr.,Sect.D V. 69 2440 2013.
ISSN: ISSN 0907-4449
PubMed: 24311585
DOI: 10.1107/S0907444913022683