Atomistry » Bromine » PDB 2qc6-2vo5 » 2uy0
Atomistry »
  Bromine »
    PDB 2qc6-2vo5 »
      2uy0 »

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

Last articles

Br in 2J6L
Br in 2JHR
Br in 2JEC
Br in 2JE9
Br in 2JE7
Br in 2JDZ
Br in 2IUO
Br in 2JAW
Br in 2JA7
Br in 2JA8
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy