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Bromine in PDB 2ynf: Hiv-1 Reverse Transcriptase Y188L Mutant in Complex with Inhibitor GSK560

Enzymatic activity of Hiv-1 Reverse Transcriptase Y188L Mutant in Complex with Inhibitor GSK560

All present enzymatic activity of Hiv-1 Reverse Transcriptase Y188L Mutant in Complex with Inhibitor GSK560:
2.7.7.49; 2.7.7.7; 3.1.13.2; 3.1.26.13;

Protein crystallography data

The structure of Hiv-1 Reverse Transcriptase Y188L Mutant in Complex with Inhibitor GSK560, PDB code: 2ynf was solved by P.Chong, P.Sebahar, M.Youngman, D.Garrido, H.Zhang, E.L.Stewart, R.T.Nolte, L.Wang, R.G.Ferris, M.Edelstein, K.Weaver, A.Mathis, A.Peat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.57 / 2.36
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 119.578, 154.508, 157.026, 90.00, 90.00, 90.00
R / Rfree (%) 19.722 / 23.631

Other elements in 2ynf:

The structure of Hiv-1 Reverse Transcriptase Y188L Mutant in Complex with Inhibitor GSK560 also contains other interesting chemical elements:

Fluorine (F) 1 atom
Magnesium (Mg) 3 atoms
Chlorine (Cl) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Hiv-1 Reverse Transcriptase Y188L Mutant in Complex with Inhibitor GSK560 (pdb code 2ynf). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Hiv-1 Reverse Transcriptase Y188L Mutant in Complex with Inhibitor GSK560, PDB code: 2ynf:

Bromine binding site 1 out of 1 in 2ynf

Go back to Bromine Binding Sites List in 2ynf
Bromine binding site 1 out of 1 in the Hiv-1 Reverse Transcriptase Y188L Mutant in Complex with Inhibitor GSK560


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Hiv-1 Reverse Transcriptase Y188L Mutant in Complex with Inhibitor GSK560 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1563

b:36.7
occ:0.80
 BR A:WHU1563 0.0 36.7 0.8
C15 A:WHU1563 1.9 32.6 1.0
O18 A:WHU1563 2.6 35.3 1.0
C17 A:WHU1563 2.6 32.2 1.0
C14 A:WHU1563 3.0 31.1 1.0
O A:LEU188 3.5 53.2 1.0
C A:LEU188 3.6 54.7 1.0
CG2 A:VAL179 3.7 59.3 1.0
CD2 A:TYR181 3.7 55.2 1.0
C19 A:WHU1563 3.7 36.4 1.0
N A:GLY190 3.7 61.8 1.0
N A:VAL189 3.8 57.4 1.0
CE2 A:TYR181 3.9 56.9 1.0
C A:VAL189 3.9 62.1 1.0
CB A:LEU188 4.0 52.0 1.0
C28 A:WHU1563 4.0 29.4 1.0
C20 A:WHU1563 4.1 38.6 1.0
CA A:GLY190 4.1 64.3 1.0
C13 A:WHU1563 4.2 29.2 1.0
CA A:VAL189 4.2 59.5 1.0
CA A:LEU188 4.3 53.7 1.0
CG1 A:VAL106 4.5 45.8 1.0
CG A:TYR181 4.5 53.6 1.0
O A:VAL189 4.5 64.7 1.0
CG2 A:VAL106 4.6 47.8 1.0
C12 A:WHU1563 4.6 29.5 1.0
O A:VAL179 4.7 59.9 1.0
C27 A:WHU1563 4.8 35.2 1.0
CZ A:TYR181 4.8 57.6 1.0
F29 A:WHU1563 4.9 32.0 1.0
CB A:VAL179 5.0 58.8 1.0

Reference:

P.Chong, P.Sebahar, M.Youngman, D.Garrido, H.Zhang, E.L.Stewart, R.T.Nolte, L.Wang, R.G.Ferris, M.Edelstein, K.Weaver, A.Mathis, A.Peat. Rational Design of Potent Non-Nucleoside Inhibitors of Hiv- 1 Reverse Transcriptase. J.Med.Chem. V. 55 10601 2012.
ISSN: ISSN 0022-2623
PubMed: 23137340
DOI: 10.1021/JM301294G
Page generated: Wed Jul 10 19:02:38 2024

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