Chlorine in PDB 8ixv: Crystal Structure of Intracellular B30.2 Domain of BTN3A in Complex with 2CL-Hmbpp

The structure of Crystal Structure of Intracellular B30.2 Domain of BTN3A in Complex with 2CL-Hmbpp, PDB code: 8ixv was solved by Y.Y.Yang, S.M.Yi, J.W.Huang, C.C.Chen, R.T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.21 / 1.72
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.774, 61.944, 75.405, 90, 90, 90
R / Rfree (%)	20 / 24.4

The binding sites of Chlorine atom in the Crystal Structure of Intracellular B30.2 Domain of BTN3A in Complex with 2CL-Hmbpp (pdb code 8ixv). 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 Intracellular B30.2 Domain of BTN3A in Complex with 2CL-Hmbpp, PDB code: 8ixv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Intracellular B30.2 Domain of BTN3A in Complex with 2CL-Hmbpp


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 BTN3A in Complex with 2CL-Hmbpp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:20.7 occ:1.00 CLP A:RZO503 0.0 20.7 1.0 CAK A:RZO503 1.8 18.0 1.0 PAL A:RZO503 2.9 16.9 1.0 PAH A:RZO503 2.9 20.0 1.0 CLQ A:RZO503 3.0 25.6 1.0 OAI A:RZO503 3.0 20.4 1.0 OAO A:RZO503 3.2 18.6 1.0 OAM A:RZO503 3.3 16.6 1.0 O A:HOH699 3.5 21.4 1.0 O A:HOH634 3.5 19.7 1.0 OAF A:RZO503 3.5 20.0 1.0 O A:HOH735 3.7 27.4 1.0 O A:HOH810 3.7 34.2 1.0 O A:HOH831 3.9 28.2 1.0 CAE A:RZO503 4.0 22.4 1.0 O A:HOH814 4.1 28.0 1.0 OAJ A:RZO503 4.3 25.8 1.0 OAN A:RZO503 4.3 16.2 1.0 NH1 A:ARG412 4.9 17.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Intracellular B30.2 Domain of BTN3A in Complex with 2CL-Hmbpp


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 Intracellular B30.2 Domain of BTN3A in Complex with 2CL-Hmbpp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:25.6 occ:1.00 CLQ A:RZO503 0.0 25.6 1.0 CAK A:RZO503 1.8 18.0 1.0 PAH A:RZO503 2.9 20.0 1.0 PAL A:RZO503 2.9 16.9 1.0 CLP A:RZO503 3.0 20.7 1.0 OAJ A:RZO503 3.0 25.8 1.0 OAM A:RZO503 3.0 16.6 1.0 O A:HOH699 3.3 21.4 1.0 OAN A:RZO503 3.4 16.2 1.0 OAI A:RZO503 3.5 20.4 1.0 O A:HOH608 4.0 15.5 1.0 CE A:LYS393 4.1 21.8 1.0 OAF A:RZO503 4.2 20.0 1.0 NE A:ARG418 4.2 15.8 1.0 CG A:LYS393 4.3 18.9 1.0 OAO A:RZO503 4.3 18.6 1.0 NH2 A:ARG418 4.3 14.9 1.0 CZ2 A:TRP391 4.5 19.2 1.0 CZ A:ARG418 4.7 16.8 1.0 CD A:LYS393 4.7 20.8 1.0 NE1 A:TRP391 4.9 18.1 1.0

Y.Y.Yang, P.P.Shen, X.Li, S.M.Yi, M.T.Zhang, J.-W.Huang, C.-C.Chen, R.-T.Guo. Phosphoantigens Glue Butyrophilin 3A1 and 2A1 to Activate VGAMMA9VDELTA2 T Cells. Nature 2023.
ISSN: ESSN 1476-4687
DOI: 10.1038/S41586-023-06525-3