Chlorine in PDB 4qvs: 2.1 Angstrom Resolution Crystal Structure of S-Layer Domain-Containing Protein (Residues 221-444) From Clostridium Thermocellum Atcc 27405

The structure of 2.1 Angstrom Resolution Crystal Structure of S-Layer Domain-Containing Protein (Residues 221-444) From Clostridium Thermocellum Atcc 27405, PDB code: 4qvs was solved by A.S.Halavaty, Z.Wawrzak, E.V.Filippova, G.Minasov, O.Kiryukhina, L.Shuvalova, R.Jedrzejczak, A.Joachimiak, W.F.Anderson, Midwest Centerfor Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.35 / 2.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	65.958, 74.813, 98.398, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 24.9

The structure of 2.1 Angstrom Resolution Crystal Structure of S-Layer Domain-Containing Protein (Residues 221-444) From Clostridium Thermocellum Atcc 27405 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the 2.1 Angstrom Resolution Crystal Structure of S-Layer Domain-Containing Protein (Residues 221-444) From Clostridium Thermocellum Atcc 27405 (pdb code 4qvs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the 2.1 Angstrom Resolution Crystal Structure of S-Layer Domain-Containing Protein (Residues 221-444) From Clostridium Thermocellum Atcc 27405, PDB code: 4qvs:

Chlorine binding site 1 out of 1 in the 2.1 Angstrom Resolution Crystal Structure of S-Layer Domain-Containing Protein (Residues 221-444) From Clostridium Thermocellum Atcc 27405


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.1 Angstrom Resolution Crystal Structure of S-Layer Domain-Containing Protein (Residues 221-444) From Clostridium Thermocellum Atcc 27405 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:65.8 occ:1.00 OH A:TYR242 2.9 56.2 0.5 O A:HOH622 3.1 58.7 1.0 O A:HOH617 3.2 51.7 1.0 CE1 A:TYR242 3.2 57.5 0.5 N A:ASP229 3.3 60.2 1.0 CZ A:TYR242 3.5 53.5 0.5 N A:GLU230 3.5 59.0 1.0 O A:GLU230 3.6 58.1 1.0 CB A:ASP229 3.9 64.5 1.0 CA A:ASP229 3.9 61.8 1.0 N A:PHE228 4.0 51.6 1.0 C A:ASP229 4.2 64.6 1.0 C A:PHE228 4.2 60.8 1.0 CA A:PHE228 4.3 47.0 1.0 CB A:MSE227 4.4 53.0 1.0 CD1 A:TYR242 4.4 54.6 0.5 C A:GLU230 4.4 54.2 1.0 CA A:GLU230 4.5 57.9 1.0 C A:MSE227 4.5 58.0 1.0 CD1 A:PHE239 4.5 51.6 1.0 CG A:LYS240 4.7 58.7 1.0 CG A:ASP229 4.8 62.9 1.0 CB A:GLU230 4.8 63.7 1.0 CE2 A:TYR242 4.8 57.9 0.5 CA A:MSE227 4.9 57.5 1.0 N A:MSE227 4.9 50.9 1.0 CE A:LYS240 4.9 74.6 1.0 O A:LYS240 5.0 54.6 1.0 N A:LYS240 5.0 49.5 1.0 OD2 A:ASP229 5.0 58.5 1.0

A.S.Halavaty, Z.Wawrzak, E.V.Filippova, G.Minasov, O.Kiryukhina, L.Shuvalova, R.Jedrzejczak, A.Joachimiak, W.F.Anderson. 2.1 Angstrom Resolution Crystal Structure of S-Layer Domain-Containing Protein (Residues 221-444) From Clostridium Thermocellum Atcc 27405 To Be Published.