Chlorine in PDB 4x0s: Hexamer Formed By A Macrocycle Containing A Sequence From Beta-2- Microglobulin (63-69).

The structure of Hexamer Formed By A Macrocycle Containing A Sequence From Beta-2- Microglobulin (63-69)., PDB code: 4x0s was solved by R.K.Spencer, P.J.Salveson, J.S.Nowick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.62 / 2.03
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	51.065, 51.065, 31.423, 90.00, 90.00, 120.00
R / Rfree (%)	16.5 / 20.2

The structure of Hexamer Formed By A Macrocycle Containing A Sequence From Beta-2- Microglobulin (63-69). also contains other interesting chemical elements:

Iodine	(I)	1 atom
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Hexamer Formed By A Macrocycle Containing A Sequence From Beta-2- Microglobulin (63-69). (pdb code 4x0s). 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 Hexamer Formed By A Macrocycle Containing A Sequence From Beta-2- Microglobulin (63-69)., PDB code: 4x0s:

Chlorine binding site 1 out of 1 in the Hexamer Formed By A Macrocycle Containing A Sequence From Beta-2- Microglobulin (63-69).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hexamer Formed By A Macrocycle Containing A Sequence From Beta-2- Microglobulin (63-69). within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl101 b:57.5 occ:1.00 H3 A:ORN9 2.8 60.4 1.0 HG3 A:ORN9 3.2 58.2 1.0 HD2 A:ORN9 3.5 62.7 1.0 HD3 A:ORN9 3.6 62.7 1.0 N A:ORN9 3.8 50.3 1.0 CD A:ORN9 3.9 52.2 1.0 CG A:ORN9 4.0 48.5 1.0 HA A:ORN9 4.1 54.3 1.0 H A:ORN9 4.2 60.4 1.0 H2 A:ORN9 4.4 60.4 1.0 CA A:ORN9 4.4 45.2 1.0 HG2 A:ORN9 4.8 58.2 1.0 CB A:ORN9 4.9 42.7 1.0

R.K.Spencer, A.G.Kreutzer, P.J.Salveson, H.Li, J.S.Nowick. X-Ray Crystallographic Structures of Oligomers of Peptides Derived From Beta 2-Microglobulin. J.Am.Chem.Soc. 2015.
ISSN: ESSN 1520-5126
PubMed: 25915729
DOI: 10.1021/JACS.5B01673