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 Scytalone Dehydratase Plus Inhibitor 3 (pdb 6std)






The binding sites of Bromine atom in the structure of Scytalone Dehydratase Plus Inhibitor 3 (pdb code 6std). This binding sites where shown with 5.0 Angstroms radius around Bromine atom.
The 6std structure was solved by Z.WAWRZAK, T.SANDALOVA, J.J.STEFFENS, G.S.BASARAB, T.LUNDQVIST, Y.LINDQVIST, D.B.JORDAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)8.0-1.8
Space groupI222
a (A)80.680
b (A)91.410
c (A)161.020
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)19.5
Rfree (%)22.4


Bromine Binding Sites:

Bromine binding site 1 out of 3 in 6std


Bromine binding site 1 out of 3 in 6std
Click to enlarge
stereopicture of Bromine binding site 1 out of 3 in 6std
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 6std. 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: Phe53, A: Leu54, A: Val75, A: Gly165, A: Arg166, A: Phe169, A: Ms2601,

conact list:


AtomAtomDistance (A)
BrCE2 A:Phe534.08
BrCD2 A:Phe534.97
BrCZ A:Phe534.84
BrCD2 A:Leu543.86
BrCG2 A:Val754.14
BrO A:Gly1653.26
BrC A:Gly1653.41
BrCA A:Gly1653.97
BrN A:Arg1663.79
BrCB A:Arg1664.98
BrCG A:Arg1664.57
BrCA A:Arg1664.12
BrCB A:Phe1694.41
BrCE2 A:Phe1694.95
BrCD2 A:Phe1694.03
BrCG A:Phe1694.65
BrC1 A:Ms26011.87
BrBR1 A:Ms26010.00
BrC3B A:Ms26014.18
BrC2A A:Ms26012.85
BrC3A A:Ms26014.17
BrC4 A:Ms26014.71
BrC2B A:Ms26012.86

interactive model:


Bromine binding site 2 out of 3 in 6std


Bromine binding site 2 out of 3 in 6std
Click to enlarge
stereopicture of Bromine binding site 2 out of 3 in 6std
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 6std. 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: Phe53, B: Leu54, B: Val75, B: Phe162, B: Gly165, B: Arg166, B: Phe169, B: Ms2600,

conact list:


AtomAtomDistance (A)
BrCE2 B:Phe534.14
BrCZ B:Phe534.76
BrCD2 B:Leu544.13
BrCG2 B:Val754.06
BrCB B:Phe1624.99
BrO B:Gly1653.37
BrC B:Gly1653.44
BrCA B:Gly1653.98
BrN B:Arg1663.78
BrCB B:Arg1665.00
BrCG B:Arg1664.66
BrCA B:Arg1664.10
BrCB B:Phe1694.33
BrCE2 B:Phe1694.97
BrCD2 B:Phe1694.04
BrCG B:Phe1694.60
BrC1 B:Ms26001.86
BrBR1 B:Ms26000.00
BrC3B B:Ms26004.18
BrC2A B:Ms26002.82
BrC3A B:Ms26004.14
BrC4 B:Ms26004.69
BrC2B B:Ms26002.87

interactive model:


Bromine binding site 3 out of 3 in 6std


Bromine binding site 3 out of 3 in 6std
Click to enlarge
stereopicture of Bromine binding site 3 out of 3 in 6std
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Bromine in the PDB 6std. 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: C: Phe53, C: Leu54, C: Val75, C: Gly165, C: Arg166, C: Phe169, C: Ms2602,

conact list:


AtomAtomDistance (A)
BrCE2 C:Phe534.18
BrCZ C:Phe534.86
BrCD2 C:Leu543.99
BrCG2 C:Val754.15
BrO C:Gly1653.26
BrC C:Gly1653.43
BrCA C:Gly1654.06
BrN C:Arg1663.77
BrCB C:Arg1664.88
BrCG C:Arg1664.47
BrCA C:Arg1664.04
BrCB C:Phe1694.23
BrCD2 C:Phe1694.07
BrCG C:Phe1694.55
BrC1 C:Ms26021.87
BrBR1 C:Ms26020.00
BrC3B C:Ms26024.18
BrC2A C:Ms26022.85
BrC3A C:Ms26024.16
BrC4 C:Ms26024.71
BrC2B C:Ms26022.85

interactive model:




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