Chlorine in PDB 2xdh: Non-Cellulosomal Cohesin From the Hyperthermophilic Archaeon Archaeoglobus Fulgidus

The structure of Non-Cellulosomal Cohesin From the Hyperthermophilic Archaeon Archaeoglobus Fulgidus, PDB code: 2xdh was solved by M.Voronov-Goldman, R.Lamed, I.Noach, I.Borovok, M.Kwiat, S.Rosenheck, L.J.W.Shimon, E.A.Bayer, F.Frolow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.438 / 1.96
Space group	P 43 3 2
Cell size a, b, c (Å), α, β, γ (°)	101.754, 101.754, 101.754, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 22.96

The structure of Non-Cellulosomal Cohesin From the Hyperthermophilic Archaeon Archaeoglobus Fulgidus also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Non-Cellulosomal Cohesin From the Hyperthermophilic Archaeon Archaeoglobus Fulgidus (pdb code 2xdh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Non-Cellulosomal Cohesin From the Hyperthermophilic Archaeon Archaeoglobus Fulgidus, PDB code: 2xdh:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Non-Cellulosomal Cohesin From the Hyperthermophilic Archaeon Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Non-Cellulosomal Cohesin From the Hyperthermophilic Archaeon Archaeoglobus Fulgidus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1667 b:79.2 occ:0.50 CL A:CL1667 0.0 79.2 0.5 N A:ILE135 3.2 27.4 1.0 O A:ILE135 3.4 30.5 1.0 CL A:CL1667 3.4 0.9 0.5 CA A:GLU134 3.8 26.4 1.0 CZ A:TYR136 3.9 52.6 1.0 C A:GLU134 4.0 37.1 1.0 OH A:TYR136 4.1 53.3 1.0 CE2 A:TYR136 4.1 44.8 1.0 C A:ILE135 4.1 34.0 1.0 OG A:SER142 4.2 52.0 1.0 CA A:ILE135 4.3 29.5 1.0 CB A:SER142 4.3 35.9 1.0 CE1 A:TYR136 4.4 47.5 1.0 CB A:GLU134 4.5 33.5 1.0 CG2 A:ILE135 4.6 44.4 1.0 O A:ILE133 4.6 28.7 1.0 CD2 A:TYR136 4.7 40.8 1.0 CA A:SER142 4.7 33.4 1.0 O A:VAL143 4.8 32.9 1.0 CD1 A:TYR136 4.9 43.1 1.0 N A:GLU134 4.9 30.1 1.0 N A:VAL143 4.9 28.9 1.0

Chlorine binding site 2 out of 3 in the Non-Cellulosomal Cohesin From the Hyperthermophilic Archaeon Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Non-Cellulosomal Cohesin From the Hyperthermophilic Archaeon Archaeoglobus Fulgidus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1667 b:0.9 occ:0.50 CL A:CL1667 0.0 0.9 0.5 O A:VAL143 3.2 32.9 1.0 CL A:CL1667 3.4 79.2 0.5 C A:VAL143 4.3 32.4 1.0 CG2 A:ILE135 4.4 44.4 1.0 O A:HOH2091 4.6 29.1 1.0 CA A:LYS144 4.6 33.1 1.0 CG2 A:VAL145 4.7 34.4 0.6 N A:LYS144 4.9 33.9 1.0 N A:VAL145 4.9 36.4 0.6 CD A:LYS144 4.9 50.7 1.0 O A:ILE133 5.0 28.7 1.0 N A:VAL143 5.0 28.9 1.0 N A:VAL145 5.0 35.5 0.4

Chlorine binding site 3 out of 3 in the Non-Cellulosomal Cohesin From the Hyperthermophilic Archaeon Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Non-Cellulosomal Cohesin From the Hyperthermophilic Archaeon Archaeoglobus Fulgidus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1668 b:87.7 occ:1.00 O A:LYS72 3.8 34.5 1.0 C A:LYS72 4.2 37.2 1.0 CB A:LYS72 4.2 39.3 1.0 N A:GLY74 4.3 32.1 1.0 N A:GLN65 4.4 39.9 1.0 CA A:TYR64 4.4 36.0 1.0 CB A:ASP63 4.4 37.9 1.0 O A:ASP63 4.4 33.6 1.0 CB A:GLN65 4.4 50.0 1.0 C A:TYR64 4.4 43.7 1.0 C A:ASP63 4.5 39.9 1.0 N A:TYR64 4.6 36.4 1.0 C A:VAL73 4.6 34.5 1.0 N A:VAL73 4.6 30.4 1.0 CA A:VAL73 4.7 29.4 1.0 CA A:GLY74 4.9 27.5 1.0 CA A:LYS72 4.9 37.0 1.0

M.Voronov-Goldman, R.Lamed, I.Noach, I.Borovok, M.Kwiat, S.Rosenheck, L.J.W.Shimon, E.A.Bayer, F.Frolow. Non-Cellulosomal Cohesin From the Hyperthermophilic Archaeon Archaeoglobus Fulgidus Proteins V. 79 50 2011.
ISSN: ISSN 0887-3585
PubMed: 20954171
DOI: 10.1002/PROT.22857