Chlorine in PDB 4yiv: Crystal Structure of Engineered TGAMA1 Lacking the Dii Loop

The structure of Crystal Structure of Engineered TGAMA1 Lacking the Dii Loop, PDB code: 4yiv was solved by M.L.Parker, M.J.Boulanger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.82 / 1.93
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	89.050, 89.050, 124.970, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 19.5

The structure of Crystal Structure of Engineered TGAMA1 Lacking the Dii Loop also contains other interesting chemical elements:

Cadmium	(Cd)	2 atoms
Cobalt	(Co)	3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Engineered TGAMA1 Lacking the Dii Loop (pdb code 4yiv). 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 Engineered TGAMA1 Lacking the Dii Loop, PDB code: 4yiv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Engineered TGAMA1 Lacking the Dii Loop


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 Engineered TGAMA1 Lacking the Dii Loop within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:27.9 occ:1.00 CD A:CD502 2.6 31.3 1.0 O A:HOH651 3.4 43.4 1.0 OD1 A:ASP250 3.8 31.8 1.0 CL A:CL505 4.1 27.6 1.0 OD2 A:ASP250 4.1 29.9 1.0 CG A:ASP250 4.2 35.1 1.0 CG A:PRO249 4.4 39.0 1.0 CD A:PRO249 4.6 36.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Engineered TGAMA1 Lacking the Dii Loop


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 Engineered TGAMA1 Lacking the Dii Loop within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:27.6 occ:1.00 CD A:CD502 2.5 31.3 1.0 OD2 A:ASP250 3.6 29.9 1.0 CL A:CL504 4.1 27.9 1.0 CG A:ASP250 4.6 35.1 1.0 OD1 A:ASP250 4.9 31.8 1.0

M.L.Parker, M.J.Boulanger. An Extended Surface Loop on Toxoplasma Gondii Apical Membrane Antigen 1 (AMA1) Governs Ligand Binding Selectivity. Plos One V. 10 26206 2015.
ISSN: ESSN 1932-6203
PubMed: 25955165
DOI: 10.1371/JOURNAL.PONE.0126206