Chlorine in PDB 6scb: Crystal Structure of A Shortened Ipgc Variant with Two Bound Magnesium and Two Bound Chlorine Atoms Each

The structure of Crystal Structure of A Shortened Ipgc Variant with Two Bound Magnesium and Two Bound Chlorine Atoms Each, PDB code: 6scb was solved by M.Ley, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.59 / 1.58
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	57.554, 57.554, 159.979, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 21.5

The structure of Crystal Structure of A Shortened Ipgc Variant with Two Bound Magnesium and Two Bound Chlorine Atoms Each also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Shortened Ipgc Variant with Two Bound Magnesium and Two Bound Chlorine Atoms Each (pdb code 6scb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A Shortened Ipgc Variant with Two Bound Magnesium and Two Bound Chlorine Atoms Each, PDB code: 6scb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Shortened Ipgc Variant with Two Bound Magnesium and Two Bound Chlorine Atoms Each


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 A Shortened Ipgc Variant with Two Bound Magnesium and Two Bound Chlorine Atoms Each within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:34.8 occ:1.00 H A:LEU121 2.5 28.4 1.0 HB2 A:LEU121 2.7 33.9 1.0 HA A:ALA119 2.8 27.5 1.0 H A:LYS122 2.9 23.9 1.0 O A:HOH395 3.0 43.1 1.0 HG3 A:LYS122 3.1 41.0 1.0 HB1 A:ALA119 3.1 30.9 1.0 HD2 A:PRO120 3.2 28.5 1.0 N A:LEU121 3.2 23.6 1.0 C A:ALA119 3.4 23.7 1.0 CA A:ALA119 3.4 22.9 1.0 HD12 A:LEU121 3.4 49.0 1.0 CB A:LEU121 3.5 28.2 1.0 HG A:LEU121 3.5 39.9 1.0 N A:PRO120 3.6 21.9 1.0 HE2 A:LYS122 3.6 63.3 1.0 N A:LYS122 3.7 19.9 1.0 CB A:ALA119 3.7 25.7 1.0 CA A:LEU121 3.8 26.2 1.0 O A:ALA119 3.8 21.8 1.0 CD A:PRO120 3.8 23.7 1.0 CG A:LEU121 3.9 33.2 1.0 CG A:LYS122 4.0 34.2 1.0 CD1 A:LEU121 4.1 40.8 1.0 HG2 A:PRO120 4.2 26.5 1.0 C A:LEU121 4.2 23.5 1.0 C A:PRO120 4.2 22.9 1.0 HB3 A:LEU121 4.3 33.9 1.0 HB2 A:ALA119 4.3 30.9 1.0 HB3 A:ALA119 4.5 30.9 1.0 CA A:PRO120 4.5 21.7 1.0 HG2 A:LYS122 4.5 41.0 1.0 CE A:LYS122 4.5 52.7 1.0 CG A:PRO120 4.6 22.0 1.0 HD3 A:PRO120 4.6 28.5 1.0 HB2 A:LYS122 4.6 23.9 1.0 HA A:LEU121 4.7 31.5 1.0 HD11 A:LEU121 4.7 49.0 1.0 CB A:LYS122 4.7 19.9 1.0 N A:ALA119 4.7 23.1 1.0 CD A:LYS122 4.8 48.5 1.0 HD13 A:LEU121 4.8 49.0 1.0 CA A:LYS122 4.8 20.2 1.0 HD2 A:LYS122 4.9 58.2 1.0 O A:HOH410 4.9 40.6 1.0 O A:LYS118 4.9 24.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Shortened Ipgc Variant with Two Bound Magnesium and Two Bound Chlorine Atoms Each


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 A Shortened Ipgc Variant with Two Bound Magnesium and Two Bound Chlorine Atoms Each within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:24.1 occ:1.00 H B:SER12 2.5 18.3 0.6 H B:SER12 2.5 20.8 0.4 HA3 B:GLY9 2.6 30.0 1.0 HB B:ILE11 2.9 25.3 1.0 H B:ILE11 2.9 24.4 0.5 O B:HOH396 3.0 28.2 1.0 H B:ILE11 3.0 24.4 0.5 O B:HOH419 3.0 30.9 1.0 HG B:SER12 3.2 31.4 0.4 CA B:GLY9 3.2 24.9 1.0 N B:SER12 3.3 15.2 0.6 N B:SER12 3.3 17.3 0.4 HB3 B:SER12 3.4 29.2 0.4 N B:GLY9 3.4 30.1 1.0 HB3 B:SER12 3.4 29.4 0.6 C B:GLY9 3.4 20.7 1.0 HZ A:PHE67 3.5 42.2 1.0 HB2 B:SER12 3.6 29.4 0.6 N B:ILE11 3.6 20.3 1.0 HE1 A:PHE67 3.7 28.8 1.0 OG B:SER12 3.8 26.2 0.4 CB B:ILE11 3.8 21.0 1.0 O B:GLY9 3.8 20.6 1.0 CB B:SER12 3.8 24.4 0.6 N B:SER10 3.9 16.8 0.5 N B:SER10 3.9 17.6 0.5 CB B:SER12 3.9 24.3 0.4 H B:SER10 3.9 20.2 0.5 H B:SER10 4.0 21.2 0.5 CA B:ILE11 4.0 18.9 1.0 CZ A:PHE67 4.0 35.2 1.0 HA2 B:GLY9 4.1 30.0 1.0 CE1 A:PHE67 4.2 24.0 1.0 C B:ILE11 4.2 16.8 1.0 CA B:SER12 4.2 21.7 0.6 CA B:SER12 4.2 21.6 0.4 HG13 B:ILE11 4.3 27.3 1.0 C B:SER10 4.5 18.4 0.5 C B:SER10 4.5 17.9 0.5 HD12 B:ILE11 4.6 25.7 1.0 HG22 B:ILE11 4.6 26.3 1.0 CG1 B:ILE11 4.6 22.7 1.0 O A:HOH421 4.6 38.7 1.0 HA B:SER12 4.6 26.1 0.6 HA B:SER12 4.7 25.9 0.4 HG B:SER10 4.8 24.2 0.5 HE21 B:GLN88 4.8 56.4 1.0 CG2 B:ILE11 4.8 21.9 1.0 O B:HOH327 4.8 21.6 1.0 O B:HOH378 4.8 26.4 1.0 CA B:SER10 4.8 17.1 0.5 CA B:SER10 4.8 17.0 0.5 HB2 B:SER12 4.8 29.2 0.4 O B:HOH334 4.9 25.7 1.0 H B:THR13 4.9 22.2 0.4 H B:THR13 5.0 22.2 0.6 HA B:ILE11 5.0 22.7 1.0

M.Ley, A.Heine, G.Klebe. Crystal Structure of A Shortened Ipgc Variant with Two Bound Magnesium and Two Bound Chlorine Atoms Each To Be Published.