Chemical elements
  Bromine
    Isotopes
    Energy
    Production
    Application
    PDB 101d-1f5m
    PDB 1f6j-1kdh
    PDB 1kfo-1o3l
    PDB 1o5m-1to3
      1o5m
      1o6h
      1o6q
      1o6r
      1om5
      1oon
      1osn
      1osy
      1ovl
      1p1y
      1p2x
      1p54
      1p5e
      1pgn
      1pth
      1pwl
      1pwx
      1q3o
      1q54
      1qbp
      1qh5
      1qui
      1r6g
      1r71
      1raz
      1re1
      1rer
      1rhq
      1rlg
      1ro9
      1roc
      1rsi
      1rv1
      1s2i
      1s9j
      1sez
      1sm5
      1snk
      1sr4
      1std
      1suq
      1sv5
      1t0s
      1t48
      1t49
      1t4j
      1t83
      1t84
      1thc
      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

Bromine in the structure of Crystal Structure Of the Complex of Caspase-3 With A Bromomethoxyphenyl Inhibitor (pdb 1rhq)






The binding sites of Bromine atom in the structure of Crystal Structure Of the Complex of Caspase-3 With A Bromomethoxyphenyl Inhibitor (pdb code 1rhq). This binding sites where shown with 5.0 Angstroms radius around Bromine atom.
The 1rhq structure was solved by J.W.BECKER, J.ROTONDA, S.M.SOISSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)20.0-3.0
Space groupC121
a (A)110.300
b (A)96.900
c (A)70.900
alpha (°)90.00
beta (°)128.06
gamma (°)90.00
Rfactor (%)n/a
Rfree (%)n/a


Bromine Binding Sites:

Bromine binding site 1 out of 2 in 1rhq


Bromine binding site 1 out of 2 in 1rhq
Click to enlarge
stereopicture of Bromine binding site 1 out of 2 in 1rhq
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 1rhq. 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: Trp340, B: Glu381, B: Ser381A, B: Phe381B, A: 0zz551,

conact list:


AtomAtomDistance (A)
BrCE3 B:Trp3404.67
BrCZ3 B:Trp3404.92
BrO B:Glu3814.88
BrCB B:Ser381A4.57
BrOG B:Ser381A4.21
BrC B:Ser381A4.32
BrCA B:Ser381A4.05
BrO B:Phe381B3.94
BrN B:Phe381B3.57
BrCB B:Phe381B4.64
BrC B:Phe381B4.58
BrCA B:Phe381B4.47
BrC1 A:0zz5514.23
BrBR1 A:0zz5510.00
BrC2 A:0zz5514.76
BrC6 A:0zz5512.91
BrC5 A:0zz5511.93
BrC4 A:0zz5512.90
BrC3 A:0zz5514.20

interactive model:


Bromine binding site 2 out of 2 in 1rhq


Bromine binding site 2 out of 2 in 1rhq
Click to enlarge
stereopicture of Bromine binding site 2 out of 2 in 1rhq
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 1rhq. 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: E: Trp340, E: Glu381, E: Ser381A, E: Phe381B, D: 0zz551,

conact list:


AtomAtomDistance (A)
BrCE3 E:Trp3404.67
BrCZ3 E:Trp3404.92
BrO E:Glu3814.88
BrCB E:Ser381A4.57
BrOG E:Ser381A4.21
BrC E:Ser381A4.32
BrCA E:Ser381A4.05
BrO E:Phe381B3.94
BrN E:Phe381B3.57
BrCB E:Phe381B4.64
BrC E:Phe381B4.58
BrCA E:Phe381B4.47
BrC1 D:0zz5514.23
BrBR1 D:0zz5510.00
BrC2 D:0zz5514.76
BrC6 D:0zz5512.91
BrC5 D:0zz5511.93
BrC4 D:0zz5512.90
BrC3 D:0zz5514.20

interactive model:




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