Chlorine in PDB 4n7i: Crystal Structure of Intracellular B30.2 Domain of BTN3A1

The structure of Crystal Structure of Intracellular B30.2 Domain of BTN3A1, PDB code: 4n7i was solved by A.Sandstrom, E.J.Adams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.03 / 1.40
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.032, 44.957, 124.813, 90.00, 90.00, 90.00
R / Rfree (%)	13.5 / 16.6

The structure of Crystal Structure of Intracellular B30.2 Domain of BTN3A1 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Intracellular B30.2 Domain of BTN3A1 (pdb code 4n7i). 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 Crystal Structure of Intracellular B30.2 Domain of BTN3A1, PDB code: 4n7i:

Chlorine binding site 1 out of 1 in the Crystal Structure of Intracellular B30.2 Domain of BTN3A1


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 Intracellular B30.2 Domain of BTN3A1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:7.7 occ:0.44 CE1 A:HIS351 3.2 17.0 0.5 N A:MET394 3.3 9.7 1.0 NH1 A:ARG469 3.5 20.3 1.0 NE1 A:TRP391 3.7 16.3 1.0 NH2 A:ARG418 3.7 21.3 1.0 NE2 A:HIS351 3.7 17.5 0.5 CB A:MET394 3.7 12.5 1.0 O A:HOH765 3.8 40.7 1.0 CG A:MET394 4.0 13.3 1.0 CA A:LYS393 4.1 12.1 1.0 CA A:MET394 4.1 9.2 1.0 C A:LYS393 4.2 11.3 1.0 CG A:LYS393 4.2 17.9 1.0 ND1 A:HIS351 4.2 14.2 0.5 NE2 A:HIS351 4.4 13.6 0.5 CE2 A:TRP391 4.4 13.6 1.0 SD A:MET394 4.5 18.1 1.0 O A:VAL392 4.5 13.8 1.0 CZ2 A:TRP391 4.5 16.5 1.0 CD2 A:HIS351 4.6 9.5 0.5 CD1 A:TRP391 4.6 16.1 1.0 CB A:LYS393 4.8 15.4 1.0 CZ A:ARG469 4.8 18.5 1.0 O2 A:GOL501 4.9 22.7 1.0 O A:MET394 5.0 13.4 1.0 CD2 A:HIS351 5.0 10.6 0.5

A.Sandstrom, C.M.Peigne, A.Leger, J.E.Crooks, F.Konczak, M.C.Gesnel, R.Breathnach, M.Bonneville, E.Scotet, E.J.Adams. The Intracellular B30.2 Domain of Butyrophilin 3A1 Binds Phosphoantigens to Mediate Activation of Human V Gamma 9V Delta 2 T Cells. Immunity V. 40 490 2014.
ISSN: ISSN 1074-7613
PubMed: 24703779
DOI: 10.1016/J.IMMUNI.2014.03.003