Chlorine in PDB 6xp6: 3C11-DQ2-Glia-A2 Complex

The structure of 3C11-DQ2-Glia-A2 Complex, PDB code: 6xp6 was solved by J.Petersen, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.03 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	91.847, 143.047, 170.153, 90, 90, 90
R / Rfree (%)	17.6 / 21.2

The binding sites of Chlorine atom in the 3C11-DQ2-Glia-A2 Complex (pdb code 6xp6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 3C11-DQ2-Glia-A2 Complex, PDB code: 6xp6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the 3C11-DQ2-Glia-A2 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 3C11-DQ2-Glia-A2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl304 b:47.3 occ:1.00 N H:THR29 3.3 58.6 1.0 NH2 H:ARG106 3.3 37.4 1.0 OG1 H:THR29 3.5 50.5 1.0 NH1 H:ARG106 3.5 35.0 1.0 N H:VAL3 3.5 60.6 1.0 CA H:GLY28 3.8 60.0 1.0 CB H:VAL3 3.8 50.0 1.0 CZ H:ARG106 3.9 42.8 1.0 N H:SER34 3.9 40.0 1.0 CB H:ARG31 3.9 44.7 1.0 CG1 H:VAL3 4.0 45.0 1.0 C H:GLY28 4.1 59.7 1.0 CB H:SER34 4.1 47.1 1.0 CA H:GLN2 4.2 73.8 1.0 CB H:THR29 4.2 52.0 1.0 CA H:THR29 4.2 50.6 1.0 CA H:VAL3 4.3 55.7 1.0 CG2 H:THR29 4.3 58.8 1.0 C H:GLN2 4.3 65.2 1.0 O H:THR29 4.4 48.6 1.0 CA H:SER34 4.5 47.1 1.0 C H:ARG31 4.6 45.6 1.0 C H:THR29 4.6 49.6 1.0 CA H:ARG31 4.7 46.2 1.0 OG H:SER34 4.7 55.9 1.0 CD H:ARG31 4.7 52.7 1.0 N H:ARG31 4.8 46.0 1.0 CG H:ARG31 4.8 45.6 1.0

Chlorine binding site 2 out of 4 in the 3C11-DQ2-Glia-A2 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 3C11-DQ2-Glia-A2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl305 b:76.4 occ:1.00 O H:HOH477 2.9 56.1 1.0 OG H:SER34 3.5 55.9 1.0 O H:ALA25 4.1 59.5 1.0 C H:ALA25 4.2 52.6 1.0 N H:GLY28 4.3 66.6 1.0 CB H:ALA25 4.3 39.4 1.0 CB H:SER34 4.3 47.1 1.0 OG H:SER85 4.3 60.8 1.0 CA H:SER26 4.4 46.7 1.0 N H:SER26 4.4 47.2 1.0 N H:GLY27 4.5 52.0 1.0 C H:SER26 4.6 56.3 1.0 CB H:SER85 4.7 55.8 1.0 CG2 H:VAL3 4.7 45.7 1.0 NH1 H:ARG35 4.7 69.8 0.5 CA H:GLY28 4.8 60.0 1.0 CA H:ALA25 4.9 45.7 1.0

Chlorine binding site 3 out of 4 in the 3C11-DQ2-Glia-A2 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 3C11-DQ2-Glia-A2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl304 b:36.5 occ:1.00 N J:THR29 3.1 42.4 1.0 OG1 J:THR29 3.3 38.8 1.0 NH2 J:ARG106 3.4 23.4 1.0 NH1 J:ARG106 3.4 23.9 1.0 N J:VAL3 3.5 43.1 1.0 CA J:GLY28 3.7 44.1 1.0 CZ J:ARG106 3.9 28.5 1.0 C J:GLY28 3.9 48.0 1.0 CB J:VAL3 4.0 37.0 1.0 CA J:THR29 4.0 40.8 1.0 CA J:GLN2 4.0 65.6 1.0 O J:THR29 4.1 39.6 1.0 N J:SER34 4.1 27.9 1.0 CB J:THR29 4.1 44.2 1.0 CB J:ARG31 4.1 32.3 1.0 CG1 J:VAL3 4.2 33.2 1.0 C J:GLN2 4.2 53.3 1.0 CB J:SER34 4.3 30.6 1.0 C J:THR29 4.3 40.6 1.0 CA J:VAL3 4.3 39.8 1.0 CG2 J:THR29 4.4 32.6 1.0 CA J:SER34 4.7 29.2 1.0 CB J:GLN2 4.7 71.4 1.0 OG J:SER34 4.8 45.7 1.0 C J:ARG31 4.8 28.5 1.0 N J:ARG31 4.8 40.5 1.0 CA J:ARG31 4.8 33.0 1.0 CD J:ARG31 4.8 40.8 1.0 CG J:ARG31 5.0 35.2 1.0

Chlorine binding site 4 out of 4 in the 3C11-DQ2-Glia-A2 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 3C11-DQ2-Glia-A2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl302 b:65.6 occ:1.00 O G:ASP56 3.5 35.9 1.0 OG G:SER65 4.0 32.5 1.0 ND2 G:ASN37 4.2 66.9 1.0 CG G:ASN37 4.3 55.6 1.0 CB G:ASN37 4.4 35.3 1.0 CB G:ASP56 4.5 30.8 1.0 C G:ASP56 4.7 34.2 1.0 OD1 G:ASN37 4.8 64.0 1.0

R.Frick, L.S.Hoydahl, J.Petersen, S.Kumari, G.Berntsen, J.R.Jeliazkov, K.S.Gunnarsen, T.Frigstad, C.Llerena, E.S.Vik, K.E.A.Lundin, S.Yaqub, J.Jahnsen, J.J.Gray, J.Rossjohn, L.M.Sollid, I.Sandlie, G.A.Loset. A High-Affinity Human Tcr-Like Antibody Detects Celiac Disease Gluten Pmhc Complexes and Inhibits T-Cell Activation To Be Published.