Chlorine in PDB 8f5a: Crystal Structure of KS1 Tcr in Complex with Hla-B*57:01-TW10

The structure of Crystal Structure of KS1 Tcr in Complex with Hla-B*57:01-TW10, PDB code: 8f5a was solved by D.S.M.Chatzileontiadou, C.A.Lobos, S.Gras, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.63 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	70.016, 55.804, 122.714, 90, 91.22, 90
R / Rfree (%)	20.2 / 23.7

The structure of Crystal Structure of KS1 Tcr in Complex with Hla-B*57:01-TW10 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of KS1 Tcr in Complex with Hla-B*57:01-TW10 (pdb code 8f5a). 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 KS1 Tcr in Complex with Hla-B*57:01-TW10, PDB code: 8f5a:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of KS1 Tcr in Complex with Hla-B*57:01-TW10


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 KS1 Tcr in Complex with Hla-B*57:01-TW10 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:80.5 occ:1.00 CD2 D:PHE45 3.8 24.7 1.0 CG D:PHE45 3.9 24.2 1.0 O C:HOH416 3.9 52.6 1.0 O C:LEU102 4.0 24.6 1.0 O C:HOH470 4.1 57.9 1.0 CB D:PHE45 4.1 24.9 1.0 CE2 D:PHE45 4.2 25.2 1.0 O D:HOH524 4.3 48.8 1.0 CD1 D:PHE45 4.3 24.5 1.0 OG1 C:THR103 4.3 27.2 1.0 CE C:MET101 4.4 24.6 1.0 C C:LEU102 4.6 24.7 1.0 O C:HOH437 4.7 48.5 1.0 CZ D:PHE45 4.7 24.3 1.0 CE1 D:PHE45 4.7 24.7 1.0 O C:HOH435 4.9 25.6 1.0 N C:LEU102 4.9 23.5 1.0 C C:MET101 5.0 24.1 1.0 CB C:MET101 5.0 23.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of KS1 Tcr in Complex with Hla-B*57:01-TW10


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 KS1 Tcr in Complex with Hla-B*57:01-TW10 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:62.0 occ:1.00 O D:THR5 3.2 28.7 1.0 OG1 D:THR7 3.3 32.5 1.0 OG D:SER22 3.5 25.9 0.5 OG D:SER24 3.6 32.5 1.0 O D:SER22 3.7 23.6 1.0 N D:SER24 3.7 25.1 1.0 N D:THR7 3.7 27.6 1.0 CB D:SER22 3.7 26.1 0.5 C D:SER22 3.8 24.1 1.0 CB D:SER22 3.8 25.5 0.5 CG2 D:THR7 3.9 31.4 1.0 C D:THR5 3.9 28.5 1.0 N D:CYS23 4.0 23.5 1.0 CA D:GLN6 4.0 26.6 1.0 CB D:THR7 4.1 30.6 1.0 C D:GLN6 4.1 27.1 1.0 C D:CYS23 4.1 26.1 1.0 CA D:CYS23 4.1 24.9 1.0 CB D:SER24 4.2 27.9 1.0 OG1 D:THR5 4.3 37.0 1.0 N D:GLN6 4.3 27.1 1.0 CA D:SER22 4.4 24.8 0.5 CA D:SER22 4.5 24.6 0.5 CA D:THR7 4.5 28.4 1.0 CA D:SER24 4.5 24.8 1.0 CB D:THR5 4.9 33.7 1.0 OG D:SER22 4.9 27.6 0.5 O D:GLN6 4.9 27.3 1.0 CA D:THR5 5.0 29.5 1.0

S.Gras, D.S.M.Chatzileontiadou, C.A.Lobos, S.Gras. N/A N/A.