Potassium in PDB 6c09: Ternary Crystal Structure of the 3C8 Tcr-CD1C-Monoacylglycerol Complex

The structure of Ternary Crystal Structure of the 3C8 Tcr-CD1C-Monoacylglycerol Complex, PDB code: 6c09 was solved by K.S.Wun, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.53 / 2.95
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	173.170, 173.170, 82.470, 90.00, 90.00, 120.00
R / Rfree (%)	17.4 / 20.8

The binding sites of Potassium atom in the Ternary Crystal Structure of the 3C8 Tcr-CD1C-Monoacylglycerol Complex (pdb code 6c09). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the Ternary Crystal Structure of the 3C8 Tcr-CD1C-Monoacylglycerol Complex, PDB code: 6c09:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in the Ternary Crystal Structure of the 3C8 Tcr-CD1C-Monoacylglycerol Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Ternary Crystal Structure of the 3C8 Tcr-CD1C-Monoacylglycerol Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:K305 b:83.9 occ:1.00 OD1 A:ASP241 2.8 77.0 0.5 CG B:ARG12 3.7 63.6 1.0 CD B:ARG12 3.8 63.1 1.0 NE B:ARG12 3.8 66.2 1.0 CG A:ASP241 3.9 76.2 1.0 CB A:ALA240 4.0 76.4 1.0 N A:ALA240 4.1 70.9 1.0 N A:ASP241 4.1 72.2 1.0 CG B:PHE22 4.1 91.0 1.0 CD2 B:PHE22 4.2 93.3 1.0 CB B:PHE22 4.3 87.8 1.0 CB B:ARG12 4.4 65.0 1.0 CA A:ALA240 4.5 73.7 1.0 OD2 A:ASP241 4.5 75.0 0.5 CD1 B:PHE22 4.6 94.6 1.0 C A:ALA240 4.7 80.2 1.0 CE2 B:PHE22 4.8 96.7 1.0 CB A:ASN239 4.9 59.2 1.0 CB A:ASP241 4.9 69.1 1.0 CA A:ASP241 4.9 70.8 1.0 CZ B:ARG12 5.0 70.7 1.0

Potassium binding site 2 out of 3 in the Ternary Crystal Structure of the 3C8 Tcr-CD1C-Monoacylglycerol Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Ternary Crystal Structure of the 3C8 Tcr-CD1C-Monoacylglycerol Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:K306 b:87.4 occ:1.00 NE2 A:GLN247 3.6 68.4 1.0 CD A:LYS232 3.6 67.9 1.0 CD1 A:ILE249 3.7 63.7 1.0 N A:GLY234 3.8 65.1 1.0 CA A:GLY234 3.9 66.5 1.0 CG A:GLN247 3.9 65.2 1.0 O A:GLN247 4.0 62.7 1.0 O A:LYS232 4.0 70.9 1.0 CB A:LYS232 4.1 63.2 1.0 CG A:LYS232 4.1 63.0 1.0 C A:LYS232 4.2 70.4 1.0 CD A:GLN247 4.2 75.4 1.0 C A:HIS233 4.3 70.2 0.5 C A:HIS233 4.3 69.7 0.5 CG1 A:ILE249 4.4 71.3 1.0 C A:GLN247 4.6 64.3 1.0 N A:HIS233 4.6 67.8 0.5 N A:HIS233 4.6 67.1 0.5 O A:HIS233 4.8 72.0 0.5 O A:HIS233 4.8 71.5 0.5 CA A:HIS233 4.8 66.3 0.5 CA A:HIS233 4.8 65.1 0.5 CB A:ILE249 4.8 73.0 1.0 N A:ILE249 4.8 67.7 1.0 CA A:LYS232 4.8 63.3 1.0 CE A:LYS232 4.9 95.4 1.0

Potassium binding site 3 out of 3 in the Ternary Crystal Structure of the 3C8 Tcr-CD1C-Monoacylglycerol Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Ternary Crystal Structure of the 3C8 Tcr-CD1C-Monoacylglycerol Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:K301 b:0.9 occ:1.00 O D:ARG113 3.0 87.5 1.0 O D:SER108 3.0 78.7 1.0 O D:ARG110 3.6 74.7 1.0 N D:GLU116 3.9 66.9 1.0 O D:GLU116 4.0 71.1 1.0 C D:SER108 4.0 76.8 1.0 CB D:GLU116 4.1 65.6 1.0 C D:ARG113 4.1 88.5 1.0 N D:SER108 4.2 72.2 1.0 N D:ASN115 4.4 78.9 1.0 CA D:GLU116 4.4 64.1 1.0 CA D:SER108 4.5 73.8 1.0 CB D:SER108 4.6 78.9 1.0 C D:GLU116 4.7 68.9 1.0 CB D:ARG113 4.7 78.8 1.0 C D:ARG110 4.8 76.2 1.0 CA D:ARG113 4.8 83.7 1.0 C D:ASN115 4.9 74.8 1.0 CA D:ASN115 4.9 75.4 1.0 OE1 D:GLU116 5.0 75.6 1.0 CB D:SER107 5.0 74.3 1.0

K.S.Wun, J.F.Reijneveld, T.Y.Cheng, K.Ladell, A.P.Uldrich, J.Le Nours, K.L.Miners, J.E.Mclaren, E.J.Grant, O.L.Haigh, T.S.Watkins, S.Suliman, S.Iwany, J.Jimenez, R.Calderon, K.L.Tamara, S.R.Leon, M.B.Murray, J.A.Mayfield, J.D.Altman, A.W.Purcell, J.J.Miles, D.I.Godfrey, S.Gras, D.A.Price, I.Van Rhijn, D.B.Moody, J.Rossjohn. T Cell Autoreactivity Directed Toward CD1C Itself Rather Than Toward Carried Self Lipids. Nat. Immunol. V. 19 397 2018.
ISSN: ESSN 1529-2916
PubMed: 29531339
DOI: 10.1038/S41590-018-0065-7