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Bromine in PDB 2uy0: 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: 2uy0 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) 15.77 / 1.76
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 57.880, 85.710, 46.600, 90.00, 90.00, 90.00
R / Rfree (%) 21.7 / 22

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 2uy0). 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: 2uy0:

Bromine binding site 1 out of 1 in 2uy0

Go back to Bromine Binding Sites List in 2uy0
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
B:Br1200

b:34.5
occ:1.00
 BR B:HV11200 0.0 34.5 1.0
C31 B:HV11200 1.9 23.3 1.0
C32 B:HV11200 2.8 21.4 1.0
C30 B:HV11200 2.9 22.9 1.0
CZ B:ARG108 3.5 22.1 1.0
NH1 B:ARG108 3.5 23.1 1.0
CG1 B:VAL182 3.6 15.8 1.0
NH2 B:ARG108 3.7 22.6 1.0
NE B:ARG108 4.0 17.6 1.0
C33 B:HV11200 4.1 20.0 1.0
C29 B:HV11200 4.2 20.2 1.0
O A:HOH2012 4.3 23.5 1.0
O B:HOH2007 4.3 32.8 1.0
O B:HOH2009 4.4 21.5 1.0
CG2 B:VAL182 4.5 14.4 1.0
O37 B:HV11200 4.5 21.9 1.0
CD B:ARG108 4.6 15.0 1.0
C28 B:HV11200 4.6 20.9 1.0
CB B:VAL182 4.7 12.9 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 18:34:12 2024

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