Chemical elements
  Bromine
    Isotopes
    Energy
    Production
    Application
    PDB 101d-1f5m
    PDB 1f6j-1kdh
    PDB 1kfo-1o3l
    PDB 1o5m-1to3
    PDB 1uhj-1zpz
    PDB 1zw9-2fkk
    PDB 2fpr-2j9m
    PDB 2ja5-2qfe
    PDB 2qgd-2wb9
    PDB 2wbb-3biy
    PDB 3bm9-3eki
    PDB 3en9-3hvo
    PDB 3hzw-3lbz
    PDB 3ld5-3ot3
    PDB 3oyp-4de3
    PDB 4dey-9est
      4dey
      4dma
      4dmn
      4er6
      4er7
      4err
      4f63
      4f64
      4f65
      4fbs
      4ft7
      4fuf
      4g55
      4std
      5rhn
      6bna
      6cox
      6std
      9est

Bromine in the structure of Cyclooxygenase-2 (Prostaglandin Synthase-2) Complexed With A Selective Inhibitor, Sc-558 in I222 Space Group (pdb 6cox)






The binding sites of Bromine atom in the structure of Cyclooxygenase-2 (Prostaglandin Synthase-2) Complexed With A Selective Inhibitor, Sc-558 in I222 Space Group (pdb code 6cox). This binding sites where shown with 5.0 Angstroms radius around Bromine atom.
The 6cox structure was solved by R.KURUMBAIL, W.STALLINGS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)8.0-2.8
Space groupI222
a (A)181.170
b (A)132.810
c (A)122.740
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)22
Rfree (%)30.9


Bromine Binding Sites:

Bromine binding site 1 out of 2 in 6cox


Bromine binding site 1 out of 2 in 6cox
Click to enlarge
stereopicture of Bromine binding site 1 out of 2 in 6cox
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 6cox. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Phe381, A: Leu384, A: Tyr385, A: Trp387, A: Met522, A: Gly526, A: Ala527, A: Ser530, A: S58701,

conact list:


AtomAtomDistance (A)
BrCZ A:Phe3814.80
BrCE1 A:Phe3814.23
BrCD1 A:Leu3843.89
BrCE2 A:Tyr3853.16
BrCD2 A:Tyr3853.71
BrCZ A:Tyr3853.85
BrCE1 A:Tyr3854.83
BrCG A:Tyr3854.73
BrOH A:Tyr3854.14
BrCZ2 A:Trp3873.69
BrCE2 A:Trp3874.79
BrCH2 A:Trp3874.16
BrO A:Met5224.71
BrO A:Gly5264.11
BrC A:Gly5264.24
BrCA A:Gly5264.12
BrN A:Ala5274.99
BrCB A:Ser5304.93
BrC12 A:S587014.09
BrC11 A:S587014.61
BrBR1 A:S587010.00
BrC14 A:S587011.83
BrC16 A:S587014.11
BrC13 A:S587012.78
BrC15 A:S587012.80

interactive model:


Bromine binding site 2 out of 2 in 6cox


Bromine binding site 2 out of 2 in 6cox
Click to enlarge
stereopicture of Bromine binding site 2 out of 2 in 6cox
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 6cox. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: Phe381, B: Leu384, B: Tyr385, B: Trp387, B: Met522, B: Gly526, B: Ser530, B: S58701,

conact list:


AtomAtomDistance (A)
BrCZ B:Phe3814.76
BrCE1 B:Phe3814.16
BrCD1 B:Leu3843.83
BrCE2 B:Tyr3853.04
BrCD2 B:Tyr3853.58
BrCZ B:Tyr3853.76
BrCE1 B:Tyr3854.75
BrCG B:Tyr3854.63
BrOH B:Tyr3854.08
BrCZ2 B:Trp3873.69
BrCE2 B:Trp3874.79
BrCH2 B:Trp3874.14
BrO B:Met5224.76
BrO B:Gly5264.14
BrC B:Gly5264.27
BrCA B:Gly5264.14
BrCB B:Ser5304.88
BrOG B:Ser5304.98
BrC12 B:S587014.10
BrC11 B:S587014.61
BrBR1 B:S587010.00
BrC14 B:S587011.82
BrC16 B:S587014.09
BrC13 B:S587012.78
BrC15 B:S587012.78

interactive model:




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