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

Protein crystallography data

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

Chlorine Binding Sites:

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 3upr

Go back to Chlorine Binding Sites List in 3upr
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 3upr

Go back to Chlorine Binding Sites List in 3upr
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

Reference:

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
Page generated: Fri Jul 11 11:25:17 2025

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