Chlorine in PDB 8rop: Crystal Structure of Hla B*18:01 in Complex with Qeirtfsf, An 8-Mer Epitope From Influenza A

The structure of Crystal Structure of Hla B*18:01 in Complex with Qeirtfsf, An 8-Mer Epitope From Influenza A, PDB code: 8rop was solved by L.D.Murdolo, J.C.Maddumage, S.Gras, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.08 / 1.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.763, 81.269, 109.89, 90, 90, 90
R / Rfree (%)	15.3 / 16.8

The structure of Crystal Structure of Hla B*18:01 in Complex with Qeirtfsf, An 8-Mer Epitope From Influenza A also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Hla B*18:01 in Complex with Qeirtfsf, An 8-Mer Epitope From Influenza A (pdb code 8rop). 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 Hla B*18:01 in Complex with Qeirtfsf, An 8-Mer Epitope From Influenza A, PDB code: 8rop:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Hla B*18:01 in Complex with Qeirtfsf, An 8-Mer Epitope From Influenza A


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 Hla B*18:01 in Complex with Qeirtfsf, An 8-Mer Epitope From Influenza A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:14.2 occ:1.00 O A:HOH477 3.1 21.0 1.0 O A:HOH500 3.3 14.4 1.0 OG1 A:THR71 3.5 11.7 1.0 CB A:THR71 4.0 11.2 1.0 CB A:SER38 4.0 11.2 1.0 CG2 A:THR71 4.0 12.5 1.0 CZ A:PHE36 4.0 13.1 1.0 CG A:LYS68 4.2 17.2 1.0 CB A:PRO43 4.3 15.5 1.0 CA A:SER38 4.3 10.7 1.0 CG A:PRO43 4.4 15.5 1.0 CA A:LYS68 4.5 13.0 1.0 CE1 A:PHE36 4.5 13.0 1.0 CB A:LYS68 4.6 14.7 1.0 O A:LYS68 4.7 12.6 1.0 CE A:LYS68 4.9 25.0 1.0 O A:SER38 4.9 11.9 1.0 CD A:LYS68 5.0 21.6 1.0 NE2 A:GLN72 5.0 17.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Hla B*18:01 in Complex with Qeirtfsf, An 8-Mer Epitope From Influenza A


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 Hla B*18:01 in Complex with Qeirtfsf, An 8-Mer Epitope From Influenza A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:33.7 occ:1.00 O B:HOH420 2.7 19.1 1.0 OE1 B:GLN9 2.8 12.5 1.0 NH1 A:ARG234 3.4 12.1 1.0 OXT B:MET100 3.4 24.7 1.0 O B:HOH371 3.6 15.6 1.0 CD B:GLN9 3.6 11.3 1.0 CG B:GLN9 3.8 11.5 1.0 NE1 A:TRP244 3.8 12.9 1.0 CZ2 A:TRP244 3.8 14.7 1.0 CG1 A:VAL231 4.0 15.9 1.0 CE2 A:TRP244 4.1 12.5 1.0 CB B:GLN9 4.1 11.2 1.0 O B:HOH338 4.1 17.6 1.0 CB B:MET100 4.3 25.0 1.0 C B:MET100 4.3 22.1 1.0 CB A:VAL231 4.6 14.2 1.0 CZ A:ARG234 4.7 11.3 1.0 O A:HOH764 4.7 20.4 1.0 CA B:GLN9 4.7 11.0 1.0 CG2 A:VAL231 4.8 13.5 1.0 O A:HOH412 4.8 29.6 1.0 NE2 B:GLN9 4.8 11.7 1.0 CA B:MET100 4.8 21.2 1.0 CD1 A:TRP244 4.9 12.5 1.0 CH2 A:TRP244 5.0 15.1 1.0

L.D.Murdolo, J.C.Maddumage, S.Gras. Crystal Structure of Hla B*18:01 in Complex with Qeirtfsf, An 8-Mer Epitope From Influenza A To Be Published.