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Bromine in PDB 2uxz: Two-Carbon-Elongated Hiv-1 Protease Inhibitors with A Tertiary- Alcohol-Containing Transition-State Mimic

Enzymatic activity of Two-Carbon-Elongated Hiv-1 Protease Inhibitors with A Tertiary- Alcohol-Containing Transition-State Mimic

All present enzymatic activity of Two-Carbon-Elongated Hiv-1 Protease Inhibitors with A Tertiary- Alcohol-Containing Transition-State Mimic:
3.4.23.16;

Protein crystallography data

The structure of Two-Carbon-Elongated Hiv-1 Protease Inhibitors with A Tertiary- Alcohol-Containing Transition-State Mimic, PDB code: 2uxz was solved by N.Ginman, B.Samuelsson, A.Hallberg, J.T.Unge, T.K.Unge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.76 / 1.75
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 58.160, 86.660, 46.540, 90.00, 90.00, 90.00
R / Rfree (%) 20.2 / 21.3

Bromine Binding Sites:

The binding sites of Bromine atom in the Two-Carbon-Elongated Hiv-1 Protease Inhibitors with A Tertiary- Alcohol-Containing Transition-State Mimic (pdb code 2uxz). 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 Two-Carbon-Elongated Hiv-1 Protease Inhibitors with A Tertiary- Alcohol-Containing Transition-State Mimic, PDB code: 2uxz:

Bromine binding site 1 out of 1 in 2uxz

Go back to Bromine Binding Sites List in 2uxz
Bromine binding site 1 out of 1 in the Two-Carbon-Elongated Hiv-1 Protease Inhibitors with A Tertiary- Alcohol-Containing Transition-State Mimic


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Two-Carbon-Elongated Hiv-1 Protease Inhibitors with A Tertiary- Alcohol-Containing Transition-State Mimic within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1100

b:46.5
occ:1.00
 BR A:HI11100 0.0 46.5 1.0
C36 A:HI11100 1.8 31.0 1.0
C35 A:HI11100 2.8 29.3 1.0
C37 A:HI11100 2.9 29.6 1.0
O A:HOH2037 4.1 25.0 1.0
O A:GLY48 4.1 15.9 1.0
O8 A:HI11100 4.1 15.3 1.0
C34 A:HI11100 4.1 24.5 1.0
C38 A:HI11100 4.2 22.8 1.0
O B:HOH2012 4.3 33.5 1.0
C A:GLY48 4.3 13.3 1.0
CA A:GLY48 4.3 12.2 1.0
CZ A:PHE53 4.4 13.9 1.0
C7 A:HI11100 4.6 22.6 1.0
CB B:PRO181 4.7 13.3 1.0
C33 A:HI11100 4.7 22.7 1.0
N A:GLY48 4.8 10.2 1.0
CE2 A:PHE53 4.9 13.7 1.0

Reference:

X.Wu, P.Ohrngren, J.K.Ekegren, J.T.Unge, T.K.Unge, H.Wallberg, B.Samuelsson, A.Hallberg, M.Larhed. Two-Carbon-Elongated Hiv-1 Protease Inhibitors with A Tertiary-Alcohol-Containing Transition-State Mimic. J.Med.Chem. V. 51 1053 2008.
ISSN: ISSN 0022-2623
PubMed: 18215014
DOI: 10.1021/JM070680H
Page generated: Wed Jul 10 18:33:55 2024

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