Chlorine in PDB 3upr: Hla-B*57:01 Complexed to Pep-V and Abacavir

The structure of Hla-B*57:01 Complexed to Pep-V and Abacavir, PDB code: 3upr was solved by Y.A.Pompeu, D.A.Ostrov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.53 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.751, 131.412, 88.340, 90.00, 104.30, 90.00
R / Rfree (%)	18.7 / 22.8

The binding sites of Chlorine atom in the Hla-B*57:01 Complexed to Pep-V and Abacavir (pdb code 3upr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Hla-B*57:01 Complexed to Pep-V and Abacavir, PDB code: 3upr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Hla-B*57:01 Complexed to Pep-V and Abacavir


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hla-B*57:01 Complexed to Pep-V and Abacavir within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl278 b:49.7 occ:1.00 NH1 A:ARG145 3.3 43.2 1.0 CG A:ARG145 3.4 40.0 1.0 CD A:ARG145 3.5 40.2 1.0 CZ A:ARG145 4.3 45.9 1.0 NE A:ARG145 4.4 44.3 1.0 O A:ARG145 4.8 34.6 1.0 CB A:ARG145 4.9 34.0 1.0

Chlorine binding site 2 out of 2 in the Hla-B*57:01 Complexed to Pep-V and Abacavir


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hla-B*57:01 Complexed to Pep-V and Abacavir within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl278 b:30.2 occ:1.00 O C:HOH293 2.8 28.6 1.0 NH1 C:ARG145 3.5 27.6 1.0 O C:HOH280 3.5 25.5 1.0 CD C:ARG145 3.8 31.8 1.0 CB C:ARG145 4.0 37.4 1.0 CG C:ARG145 4.3 34.0 1.0 CZ C:ARG145 4.4 32.9 1.0 NE C:ARG145 4.6 36.2 1.0 CA C:ARG145 4.8 34.8 1.0 O C:ARG145 4.8 39.3 1.0 C C:ARG145 5.0 37.5 1.0

D.A.Ostrov, B.J.Grant, Y.A.Pompeu, J.Sidney, M.Harndahl, S.Southwood, C.Oseroff, S.Lu, J.Jakoncic, C.A.De Oliveira, L.Yang, H.Mei, L.Shi, J.Shabanowitz, A.M.English, A.Wriston, A.Lucas, E.Phillips, S.Mallal, H.M.Grey, A.Sette, D.F.Hunt, S.Buus, B.Peters. Drug Hypersensitivity Caused By Alteration of the Mhc-Presented Self-Peptide Repertoire. Proc.Natl.Acad.Sci.Usa V. 109 9959 2012.
ISSN: ISSN 0027-8424
PubMed: 22645359
DOI: 10.1073/PNAS.1207934109