Chlorine in PDB 7nim: X-Ray Crystal Structure of LSAA9A - Cinnamon Extract Soak

The structure of X-Ray Crystal Structure of LSAA9A - Cinnamon Extract Soak, PDB code: 7nim was solved by K.E.H.Frandsen, R.Tokin, L.Skov, K.S.Johansen, L.Lo Leggio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.30 / 1.45
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	125.179, 125.179, 125.179, 90, 90, 90
R / Rfree (%)	16.7 / 18.7

The structure of X-Ray Crystal Structure of LSAA9A - Cinnamon Extract Soak also contains other interesting chemical elements:

Copper

(Cu)

1 atom

The binding sites of Chlorine atom in the X-Ray Crystal Structure of LSAA9A - Cinnamon Extract Soak (pdb code 7nim). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the X-Ray Crystal Structure of LSAA9A - Cinnamon Extract Soak, PDB code: 7nim:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the X-Ray Crystal Structure of LSAA9A - Cinnamon Extract Soak


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of LSAA9A - Cinnamon Extract Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:28.1 occ:1.00 O A:HOH506 3.1 34.4 1.0 N A:GLN228 3.3 18.9 1.0 O A:HOH544 3.5 29.4 1.0 CA A:ALA121 3.6 18.0 1.0 CA A:ALA227 3.8 19.8 1.0 O A:HOH434 3.8 40.6 1.0 CB A:ALA121 3.9 18.9 1.0 CB A:GLN228 3.9 18.4 1.0 C A:ALA227 4.0 18.1 1.0 O A:THR120 4.1 21.7 1.0 N A:ALA121 4.1 19.5 1.0 CA A:GLN228 4.2 18.2 1.0 C A:THR120 4.3 20.9 1.0 CB A:ALA227 4.4 21.3 1.0 CG2 A:THR120 4.7 26.1 1.0 C A:ALA121 4.8 16.9 1.0 N A:ALA227 4.9 18.4 1.0

Chlorine binding site 2 out of 4 in the X-Ray Crystal Structure of LSAA9A - Cinnamon Extract Soak


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of LSAA9A - Cinnamon Extract Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:23.6 occ:1.00 O A:HOH575 3.0 18.0 1.0 OG A:SER225 3.1 24.6 1.0 O A:HOH661 3.3 36.6 1.0 CA A:GLY224 3.6 19.9 1.0 N A:SER225 3.6 17.3 1.0 C A:GLY224 3.6 18.2 1.0 CB A:SER126 3.7 16.2 1.0 CB A:SER225 3.8 20.3 1.0 O A:GLY224 4.2 20.2 1.0 CG2 A:THR59 4.3 18.1 1.0 CA A:SER225 4.3 17.6 1.0 O A:SER126 4.3 16.6 1.0 N A:GLY224 4.3 21.2 1.0 C A:SER126 4.4 15.4 1.0 CG2 A:VAL128 4.4 17.5 1.0 OG A:SER126 4.6 17.5 1.0 CA A:SER126 4.6 14.9 1.0 O A:HOH448 4.7 22.7 1.0 O A:HOH609 4.7 48.0 1.0 N A:VAL127 4.8 15.8 1.0 C A:VAL127 4.9 16.8 1.0 O A:SER225 5.0 20.9 1.0 OG1 A:THR59 5.0 17.1 1.0

Chlorine binding site 3 out of 4 in the X-Ray Crystal Structure of LSAA9A - Cinnamon Extract Soak


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Crystal Structure of LSAA9A - Cinnamon Extract Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:33.8 occ:1.00 ND1 A:HIS131 2.9 41.0 1.0 O A:HOH535 3.0 32.7 1.0 CE1 A:HIS131 3.3 38.3 1.0 N A:ASP176 3.3 25.4 1.0 CG A:ASP176 3.5 34.2 1.0 OD1 A:ASP176 3.7 31.1 1.0 CA A:SER175 3.8 20.7 1.0 CB A:ASP176 3.8 30.5 1.0 CB A:ALA56 3.8 19.8 1.0 OD2 A:ASP176 3.9 33.8 1.0 C A:SER175 4.0 21.5 1.0 CA A:ASP176 4.2 30.8 1.0 CG A:HIS131 4.3 27.5 1.0 O A:HOH564 4.3 26.1 1.0 OG A:SER175 4.5 20.2 1.0 NE2 A:HIS131 4.5 33.8 1.0 N A:SER175 4.7 20.4 1.0 CB A:SER175 4.7 19.4 1.0 O A:HOH733 4.7 32.6 1.0 O A:SER174 4.9 21.4 1.0 CB A:HIS131 4.9 21.6 1.0 O A:HOH422 4.9 42.4 1.0

Chlorine binding site 4 out of 4 in the X-Ray Crystal Structure of LSAA9A - Cinnamon Extract Soak


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Crystal Structure of LSAA9A - Cinnamon Extract Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl309 b:21.7 occ:0.80 O A:HOH561 2.8 38.3 1.0 O A:HOH732 3.0 21.4 1.0 N A:ASP16 3.2 15.7 1.0 CA A:GLY15 3.5 17.1 1.0 CH2 A:TRP5 3.8 23.4 0.7 C A:GLY15 3.8 16.7 1.0 CB A:ASP16 4.0 15.2 1.0 CZ2 A:TRP5 4.1 22.9 0.7 CA A:ASP16 4.2 15.5 1.0 O A:HOH698 4.7 42.4 1.0 N A:GLY15 4.8 16.2 1.0 CZ3 A:TRP5 4.9 23.4 0.7 O A:HOH456 4.9 18.8 1.0 O A:HOH501 4.9 23.4 1.0

R.Tokin, K.E.H.Frandsen, J.Ipsen, L.Lo Leggio, M.M.Poojary, J.-G.Berrin, S.Grisel, S.Brander, P.-E.Jensen, K.S.Johansen. X-Ray Crystal Structure of LSAA9A - Cinnamon Extract Soak To Be Published.