Chlorine in PDB 5def: Crystal Structure of B*27:04 Complex Bound to the Pvipr Peptide

The structure of Crystal Structure of B*27:04 Complex Bound to the Pvipr Peptide, PDB code: 5def was solved by B.Loll, H.Fabian, H.Huser, C.S.Hee, B.Uchanska-Ziegler, A.Ziegler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.770, 82.160, 109.863, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 17.4

The binding sites of Chlorine atom in the Crystal Structure of B*27:04 Complex Bound to the Pvipr Peptide (pdb code 5def). 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 B*27:04 Complex Bound to the Pvipr Peptide, PDB code: 5def:

Chlorine binding site 1 out of 1 in the Crystal Structure of B*27:04 Complex Bound to the Pvipr Peptide


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 B*27:04 Complex Bound to the Pvipr Peptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl102 b:13.7 occ:1.00 O A:HOH634 3.1 11.5 1.0 O A:HOH474 3.2 5.4 1.0 NZ C:LYS3 3.2 11.8 1.0 NE C:ARG6 3.2 16.4 1.0 NH2 C:ARG6 3.3 17.1 1.0 CZ C:ARG6 3.7 17.4 1.0 CE C:LYS3 3.9 9.8 1.0 CD A:LYS70 3.9 11.9 0.5 CG C:LYS3 4.0 9.8 1.0 CE2 A:TYR99 4.0 6.7 1.0 CD A:LYS70 4.0 10.5 0.5 CG A:LYS70 4.1 11.4 0.5 CB A:LYS70 4.1 10.8 0.5 CB A:LYS70 4.1 10.8 0.5 OH A:TYR99 4.2 8.2 1.0 CG A:LYS70 4.2 11.3 0.5 O C:LYS3 4.3 11.9 1.0 CD C:ARG6 4.3 15.2 1.0 CG2 A:ILE66 4.4 10.6 1.0 NE2 A:HIS9 4.5 6.7 1.0 CZ A:TYR99 4.5 6.8 1.0 CD C:LYS3 4.5 10.0 1.0 CE A:LYS70 4.6 11.2 0.5 O A:HOH690 4.6 26.4 0.5 CB C:ARG6 4.6 14.1 1.0 CE A:LYS70 4.8 9.2 0.5 O C:ARG5 4.9 14.7 1.0 CD2 A:TYR99 5.0 6.7 1.0

B.Loll, H.Fabian, H.Huser, C.S.Hee, A.Ziegler, B.Uchanska-Ziegler, A.Ziegler. Increased Conformational Flexibility of Hla-B*27 Subtypes Associated with Ankylosing Spondylitis. Arthritis Rheumatol V. 68 1172 2016.
ISSN: ISSN 2326-5205
PubMed: 26748477
DOI: 10.1002/ART.39567