Chemical elements
  Bromine
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      3en9
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    PDB 3hzw-3lbz
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Bromine in the structure of Human Aldose Reductase in Complex With Nadp+ and the Inhibitor IDD594. Investigation Of Global Effects Of Radiation Damage on Protein Structure. Second Stage of Radiation Damage. (pdb 3ghs)






The binding sites of Bromine atom in the structure of Human Aldose Reductase in Complex With Nadp+ and the Inhibitor IDD594. Investigation Of Global Effects Of Radiation Damage on Protein Structure. Second Stage of Radiation Damage. (pdb code 3ghs). This binding sites where shown with 5.0 Angstroms radius around Bromine atom.
The 3ghs structure was solved by T.PETROVA, S.GINELL, I.HAZEMANN, A.MITSCHLER, A.PODJARNY, A.JOACHIMIAK, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)50.0-1.0
Space groupP1211
a (A)49.368
b (A)66.801
c (A)47.355
alpha (°)90.00
beta (°)92.22
gamma (°)90.00
Rfactor (%)8
Rfree (%)9.8


Bromine Binding Sites:

Bromine binding site 1 out of 1 in 3ghs


Bromine binding site 1 out of 1 in 3ghs
Click to enlarge
stereopicture of Bromine binding site 1 out of 1 in 3ghs
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 3ghs. 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: Cys80, A: Trp111, A: Thr113, A: Phe115, A: Cys303, A: Tyr309, A: Ldt320,

conact list:


AtomAtomDistance (A)
BrSG A:Cys804.76
BrCB A:Trp1113.89
BrCD1 A:Trp1114.76
BrCD2 A:Trp1113.91
BrCE3 A:Trp1113.85
BrCG A:Trp1113.94
BrCZ3 A:Trp1114.66
BrCE2 A:Trp1114.77
BrCB A:Thr1133.97
BrCG2 A:Thr1133.96
BrOG1 A:Thr1132.88
BrCZ A:Phe1153.97
BrCE1 A:Phe1154.29
BrCB A:Cys3033.97
BrSG A:Cys3034.10
BrCD1 A:Tyr3094.49
BrCE1 A:Tyr3094.68
BrC29 A:Ldt3202.84
BrBR8 A:Ldt3200.00
BrC24 A:Ldt3204.67
BrC28 A:Ldt3202.81
BrC25 A:Ldt3201.85
BrC27 A:Ldt3204.11
BrC26 A:Ldt3204.13

interactive model:




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