Chlorine in PDB 5ib5: Crystal Structure of Hla-B*27:09 Complexed with the Self-Peptide Pvipr and Copper

The structure of Crystal Structure of Hla-B*27:09 Complexed with the Self-Peptide Pvipr and Copper, PDB code: 5ib5 was solved by R.Janke, M.Ballaschk, P.Schmieder, B.Uchanska-Ziegler, A.Ziegler, B.Loll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.00 / 2.49
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.004, 81.677, 126.474, 90.00, 96.74, 90.00
R / Rfree (%)	21.4 / 27.2

The structure of Crystal Structure of Hla-B*27:09 Complexed with the Self-Peptide Pvipr and Copper also contains other interesting chemical elements:

Copper

(Cu)

6 atoms

The binding sites of Chlorine atom in the Crystal Structure of Hla-B*27:09 Complexed with the Self-Peptide Pvipr and Copper (pdb code 5ib5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Hla-B*27:09 Complexed with the Self-Peptide Pvipr and Copper, PDB code: 5ib5:

Chlorine binding site 1 out of 1 in the Crystal Structure of Hla-B*27:09 Complexed with the Self-Peptide Pvipr and Copper


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*27:09 Complexed with the Self-Peptide Pvipr and Copper within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl102 b:29.8 occ:1.00 NE F:ARG6 3.0 32.8 1.0 O D:HOH431 3.1 13.3 1.0 NZ F:LYS3 3.3 22.6 1.0 NH2 F:ARG6 3.4 29.5 1.0 CZ F:ARG6 3.6 35.6 1.0 CD F:ARG6 4.0 28.5 1.0 CD D:LYS70 4.0 26.9 1.0 CE F:LYS3 4.0 26.1 1.0 CB F:ARG6 4.1 26.7 1.0 CE2 D:TYR99 4.1 16.2 1.0 CG F:LYS3 4.2 29.0 1.0 O F:LYS3 4.2 29.8 1.0 CG2 D:ILE66 4.3 19.8 1.0 CB D:LYS70 4.3 26.1 1.0 CG D:LYS70 4.4 26.9 1.0 OH D:TYR99 4.4 23.9 1.0 NE2 D:HIS9 4.5 13.5 1.0 CE D:LYS70 4.7 21.9 1.0 CZ D:TYR99 4.7 22.3 1.0 CG F:ARG6 4.7 32.9 1.0 CD F:LYS3 4.7 30.9 1.0 O F:ARG5 4.8 24.0 1.0 NH1 F:ARG6 5.0 26.2 1.0 CA F:ARG6 5.0 27.2 1.0

R.Driller, M.Ballaschk, P.Schmieder, B.Uchanska-Ziegler, A.Ziegler, B.Loll. Metal-Triggered Conformational Reorientation of A Self-Peptide Bound to A Disease-Associated Hla-B*27 Subtype. J.Biol.Chem. 2019.
ISSN: ESSN 1083-351X
PubMed: 31296658
DOI: 10.1074/JBC.RA119.008937