Chemical elements
  Bromine
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    PDB 101d-1f5m
    PDB 1f6j-1kdh
    PDB 1kfo-1o3l
    PDB 1o5m-1to3
    PDB 1uhj-1zpz
    PDB 1zw9-2fkk
    PDB 2fpr-2j9m
    PDB 2ja5-2qfe
      2ja5
      2ja6
      2ja7
      2ja8
      2jaw
      2jdz
      2je7
      2je9
      2jec
      2jhr
      2jkl
      2jlt
      2jsk
      2jsq
      2jst
      2kf7
      2kug
      2kuh
      2nt7
      2ntg
      2nti
      2o29
      2o2i
      2obj
      2obz
      2oeu
      2ojt
      2ok9
      2orf
      2org
      2oxd
      2oxx
      2oxy
      2p3h
      2pev
      2pf8
      2pfh
      2pis
      2pmo
      2pn3
      2pn4
      2q44
      2qbp
      2qbq
      2qbr
      2qbs
      2qc6
      2qcg
      2qf6
      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 Distal C2-Like Domain of Human Calpain-7 (pdb 2qfe)






The binding sites of Bromine atom in the structure of Distal C2-Like Domain of Human Calpain-7 (pdb code 2qfe). This binding sites where shown with 5.0 Angstroms radius around Bromine atom.
The 2qfe structure was solved by J.R.WALKER, D.CUERRIER, R.RAVULAPALLI, J.WEIGELT, C.H.ARROWSMITH, A.M.EDWARDS, A.BOCHKAREV, S.DHE-PAGANON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)30.0-1.4
Space groupP41212
a (A)57.513
b (A)57.513
c (A)88.676
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)18.7
Rfree (%)21.5


Bromine Binding Sites:

Bromine binding site 1 out of 18 in 2qfe


Bromine binding site 1 out of 18 in 2qfe
Click to enlarge
stereopicture of Bromine binding site 1 out of 18 in 2qfe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 2qfe. 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: Val744, A: Asn783, A: Ile785, A: Hoh92, A: Hoh94,

conact list:


AtomAtomDistance (A)
BrCB A:Val7444.06
BrCG2 A:Val7444.19
BrCG1 A:Val7444.02
BrCB A:Asn7833.84
BrND2 A:Asn7833.37
BrCG A:Asn7834.10
BrCD1 A:Ile7854.40
BrO A:Hoh924.98
BrO A:Hoh943.27

interactive model:


Bromine binding site 2 out of 18 in 2qfe


Bromine binding site 2 out of 18 in 2qfe
Click to enlarge
stereopicture of Bromine binding site 2 out of 18 in 2qfe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 2qfe. 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: Arg766, A: Phe769, A: Cys770, A: Tyr771, A: Hoh38,

conact list:


AtomAtomDistance (A)
BrCD A:Arg7663.72
BrCZ A:Arg7664.37
BrNE A:Arg7664.03
BrNH2 A:Arg7664.35
BrO A:Phe7694.57
BrCE2 A:Phe7694.03
BrCD2 A:Phe7693.92
BrCA A:Cys7704.61
BrN A:Tyr7714.97
BrCE2 A:Tyr7713.81
BrCD2 A:Tyr7713.78
BrO A:Hoh383.20

interactive model:


Bromine binding site 3 out of 18 in 2qfe


Bromine binding site 3 out of 18 in 2qfe
Click to enlarge
stereopicture of Bromine binding site 3 out of 18 in 2qfe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Bromine in the PDB 2qfe. 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: Arg732, A: Gly768, A: Phe769, A: Hoh56, A: Hoh67,

conact list:


AtomAtomDistance (A)
BrCB A:Arg7324.97
BrCD A:Arg7323.76
BrCZ A:Arg7324.25
BrCG A:Arg7323.90
BrNE A:Arg7323.27
BrNH2 A:Arg7324.47
BrO A:Gly7684.77
BrCB A:Phe7693.81
BrCD1 A:Phe7693.94
BrCE1 A:Phe7694.87
BrCG A:Phe7694.15
BrCA A:Phe7694.88
BrO A:Hoh563.45
BrO A:Hoh674.36

interactive model:


Bromine binding site 4 out of 18 in 2qfe


Bromine binding site 4 out of 18 in 2qfe
Click to enlarge
stereopicture of Bromine binding site 4 out of 18 in 2qfe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Bromine in the PDB 2qfe. 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: Leu679, A: Arg691, A: Arg732, A: Phe798,

conact list:


AtomAtomDistance (A)
BrCD1 A:Leu6794.51
BrCZ A:Arg6913.92
BrNH2 A:Arg6913.52
BrNH1 A:Arg6913.45
BrCB A:Arg7324.80
BrCD A:Arg7323.68
BrCG A:Arg7324.86
BrNE A:Arg7324.45
BrCE2 A:Phe7983.69
BrCD2 A:Phe7983.52
BrCZ A:Phe7984.84
BrCG A:Phe7984.59

interactive model:


Bromine binding site 5 out of 18 in 2qfe


Bromine binding site 5 out of 18 in 2qfe
Click to enlarge
stereopicture of Bromine binding site 5 out of 18 in 2qfe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Bromine in the PDB 2qfe. 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: Ser676, A: Arg691, A: Asn693, A: Phe798, A: Hoh26, A: Hoh72, A: Hoh111,

conact list:


AtomAtomDistance (A)
BrCB A:Ser6764.11
BrOG A:Ser6763.00
BrCB A:Arg6914.91
BrCD A:Arg6913.81
BrCG A:Arg6913.96
BrCB A:Asn6934.13
BrND2 A:Asn6934.52
BrCG A:Asn6934.56
BrCD1 A:Phe7984.29
BrCZ A:Phe7984.72
BrCE1 A:Phe7983.75
BrO A:Hoh263.31
BrO A:Hoh724.89
BrO A:Hoh1113.46

interactive model:


Bromine binding site 6 out of 18 in 2qfe


Bromine binding site 6 out of 18 in 2qfe
Click to enlarge
stereopicture of Bromine binding site 6 out of 18 in 2qfe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Bromine in the PDB 2qfe. 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: Leu688, A: Lys690, A: Pro806, A: Hoh28, A: Hoh35, A: Hoh51, A: Hoh127, A: Hoh152, A: Hoh172,

conact list:


AtomAtomDistance (A)
BrCB A:Leu6884.25
BrCD1 A:Leu6884.21
BrCD2 A:Leu6884.07
BrCG A:Leu6884.43
BrCE A:Lys6904.12
BrNZ A:Lys6904.45
BrCB A:Pro8064.51
BrCG A:Pro8064.87
BrCA A:Pro8064.60
BrO A:Hoh284.94
BrO A:Hoh353.28
BrO A:Hoh514.37
BrO A:Hoh1273.85
BrO A:Hoh1523.28
BrO A:Hoh1723.18

interactive model:


Bromine binding site 7 out of 18 in 2qfe


Bromine binding site 7 out of 18 in 2qfe
Click to enlarge
stereopicture of Bromine binding site 7 out of 18 in 2qfe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Bromine in the PDB 2qfe. 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: His675, A: Lys690, A: Ile807, A: Lys808, A: Ile809, A: Hoh95, A: Hoh175, A: Hoh177,

conact list:


AtomAtomDistance (A)
BrNE2 A:His6753.82
BrCD2 A:His6753.94
BrCE A:Lys6904.03
BrCD A:Lys6904.08
BrNZ A:Lys6903.31
BrO A:Ile8074.01
BrC A:Ile8074.92
BrCB A:Lys8084.92
BrC A:Lys8084.26
BrCA A:Lys8084.07
BrO A:Ile8093.76
BrN A:Ile8093.48
BrCB A:Ile8094.49
BrC A:Ile8094.54
BrCG1 A:Ile8094.75
BrCA A:Ile8094.39
BrO A:Hoh954.53
BrO A:Hoh1753.55
BrO A:Hoh1773.43

interactive model:


Bromine binding site 8 out of 18 in 2qfe


Bromine binding site 8 out of 18 in 2qfe
Click to enlarge
stereopicture of Bromine binding site 8 out of 18 in 2qfe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Bromine in the PDB 2qfe. 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: His675, A: Ile692, A: Tyr717, A: Ile809, A: Thr810, A: Gln811, A: Hoh58, A: Hoh93, A: Hoh120, A: Hoh175, A: Hoh183, A: Hoh186,

conact list:


AtomAtomDistance (A)
BrNE2 A:His6754.75
BrCE1 A:His6754.39
BrCD1 A:Ile6923.98
BrCG2 A:Ile6924.76
BrCG1 A:Ile6924.41
BrCD1 A:Tyr7174.01
BrCE1 A:Tyr7174.15
BrO A:Ile8094.21
BrCB A:Ile8094.73
BrCG2 A:Ile8094.20
BrC A:Ile8094.40
BrO A:Thr8104.56
BrN A:Thr8104.39
BrC A:Thr8103.92
BrCA A:Thr8103.99
BrN A:Gln8113.76
BrCB A:Gln8114.32
BrCA A:Gln8114.52
BrO A:Hoh583.22
BrO A:Hoh932.87
BrO A:Hoh1204.74
BrO A:Hoh1753.17
BrO A:Hoh1833.94
BrO A:Hoh1864.69

interactive model:


Bromine binding site 9 out of 18 in 2qfe


Bromine binding site 9 out of 18 in 2qfe
Click to enlarge
stereopicture of Bromine binding site 9 out of 18 in 2qfe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 9 of Bromine in the PDB 2qfe. 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: His755, A: Lys760, A: Leu774, A: Glu775, A: Asn776, A: Ile777, A: Hoh37, A: Hoh88, A: Hoh107, A: Hoh132, A: Hoh161, A: Hoh176,

conact list:


AtomAtomDistance (A)
BrCB A:His7554.36
BrND1 A:His7554.39
BrCG A:His7554.63
BrNZ A:Lys7603.96
BrO A:Leu7744.54
BrCB A:Leu7744.11
BrCD2 A:Leu7743.99
BrC A:Leu7743.84
BrCG A:Leu7744.66
BrCA A:Leu7743.78
BrN A:Glu7753.73
BrCB A:Glu7754.99
BrC A:Glu7754.39
BrCA A:Glu7754.55
BrO A:Asn7764.11
BrN A:Asn7763.32
BrCB A:Asn7764.18
BrND2 A:Asn7764.87
BrC A:Asn7763.75
BrCA A:Asn7763.92
BrN A:Ile7774.02
BrCA A:Ile7774.60
BrO A:Hoh373.02
BrO A:Hoh884.93
BrO A:Hoh1073.93
BrO A:Hoh1323.39
BrO A:Hoh1613.08
BrO A:Hoh1763.79

interactive model:


Bromine binding site 10 out of 18 in 2qfe


Bromine binding site 10 out of 18 in 2qfe
Click to enlarge
stereopicture of Bromine binding site 10 out of 18 in 2qfe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 10 of Bromine in the PDB 2qfe. 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: Glu742, A: Arg759, A: Lys760, A: Ser761, A: Br18,

conact list:


AtomAtomDistance (A)
BrOE1 A:Glu7424.98
BrO A:Arg7593.99
BrCB A:Arg7594.39
BrCD A:Arg7593.97
BrC A:Arg7594.15
BrCG A:Arg7593.57
BrCA A:Arg7594.94
BrO A:Lys7604.10
BrN A:Lys7604.27
BrC A:Lys7603.79
BrCA A:Lys7604.06
BrN A:Ser7613.90
BrCB A:Ser7613.75
BrOG A:Ser7614.05
BrCA A:Ser7614.44
BrBR A:Br184.84

interactive model:


Bromine binding site 11 out of 18 in 2qfe


Bromine binding site 11 out of 18 in 2qfe
Click to enlarge
stereopicture of Bromine binding site 11 out of 18 in 2qfe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 11 of Bromine in the PDB 2qfe. 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: Ser762, A: Gly763, A: Asp764, A: Arg766, A: Cys770, A: Tyr771, A: Hoh20, A: Hoh55,

conact list:


AtomAtomDistance (A)
BrO A:Ser7622.60
BrCB A:Ser7624.33
BrOG A:Ser7624.52
BrC A:Ser7623.56
BrCA A:Ser7624.55
BrO A:Gly7634.67
BrN A:Gly7634.19
BrC A:Gly7633.95
BrCA A:Gly7634.11
BrO A:Asp7642.91
BrN A:Asp7643.71
BrCB A:Asp7644.66
BrC A:Asp7643.95
BrCA A:Asp7644.35
BrCB A:Arg7664.83
BrCD A:Arg7663.31
BrCZ A:Arg7663.82
BrCG A:Arg7663.84
BrNE A:Arg7662.74
BrNH1 A:Arg7664.05
BrCB A:Cys7704.02
BrCA A:Cys7704.88
BrO A:Tyr7714.95
BrO A:Hoh203.29
BrO A:Hoh553.44

interactive model:


Bromine binding site 12 out of 18 in 2qfe


Bromine binding site 12 out of 18 in 2qfe
Click to enlarge
stereopicture of Bromine binding site 12 out of 18 in 2qfe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 12 of Bromine in the PDB 2qfe. 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: Asp764, A: Tyr765, A: Phe789, A: Hoh130, A: Hoh131, A: Hoh146, A: Hoh187,

conact list:


AtomAtomDistance (A)
BrCB A:Asp7644.52
BrC A:Asp7644.24
BrOD1 A:Asp7644.65
BrCG A:Asp7644.84
BrCA A:Asp7644.09
BrO A:Tyr7654.83
BrN A:Tyr7653.40
BrCB A:Tyr7654.01
BrCD1 A:Tyr7653.99
BrCG A:Tyr7654.46
BrCA A:Tyr7654.30
BrCD1 A:Phe7894.48
BrCE1 A:Phe7894.17
BrO A:Hoh1303.34
BrO A:Hoh1314.47
BrO A:Hoh1464.04
BrO A:Hoh1874.95

interactive model:


Bromine binding site 13 out of 18 in 2qfe


Bromine binding site 13 out of 18 in 2qfe
Click to enlarge
stereopicture of Bromine binding site 13 out of 18 in 2qfe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 13 of Bromine in the PDB 2qfe. 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: Asn706, A: Phe707, A: Gln708, A: Glu709, A: Thr710, A: Hoh128, A: Hoh141, A: Hoh190,

conact list:


AtomAtomDistance (A)
BrO A:Asn7064.57
BrO A:Phe7074.40
BrN A:Phe7074.87
BrCB A:Phe7074.07
BrCD1 A:Phe7074.17
BrC A:Phe7073.69
BrCG A:Phe7074.61
BrCA A:Phe7073.60
BrN A:Gln7083.62
BrC A:Gln7084.51
BrCA A:Gln7084.59
BrN A:Glu7093.49
BrCB A:Glu7093.60
BrC A:Glu7094.96
BrCG A:Glu7094.94
BrCA A:Glu7094.13
BrN A:Thr7104.79
BrO A:Hoh1284.38
BrO A:Hoh1414.35
BrO A:Hoh1903.27

interactive model:


Bromine binding site 14 out of 18 in 2qfe


Bromine binding site 14 out of 18 in 2qfe
Click to enlarge
stereopicture of Bromine binding site 14 out of 18 in 2qfe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 14 of Bromine in the PDB 2qfe. 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: Gln708, A: Lys712, A: Hoh40, A: Hoh139, A: Hoh178,

conact list:


AtomAtomDistance (A)
BrNE2 A:Gln7083.28
BrOE1 A:Gln7084.38
BrCD A:Gln7084.26
BrCE A:Lys7123.63
BrNZ A:Lys7123.66
BrO A:Hoh404.95
BrO A:Hoh1393.42
BrO A:Hoh1784.96

interactive model:


Bromine binding site 15 out of 18 in 2qfe


Bromine binding site 15 out of 18 in 2qfe
Click to enlarge
stereopicture of Bromine binding site 15 out of 18 in 2qfe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 15 of Bromine in the PDB 2qfe. 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: Gln811, A: Leu812, A: Gln813, A: Hoh64, A: Hoh81, A: Hoh137, A: Hoh186,

conact list:


AtomAtomDistance (A)
BrO A:Gln8114.25
BrNE2 A:Gln8113.99
BrOE1 A:Gln8113.98
BrCB A:Gln8114.31
BrCD A:Gln8113.68
BrC A:Gln8114.55
BrCG A:Gln8113.68
BrO A:Leu8124.15
BrN A:Leu8124.92
BrC A:Leu8124.15
BrO A:Gln8134.34
BrN A:Gln8133.96
BrC A:Gln8133.98
BrCA A:Gln8133.72
BrOXT A:Gln8134.39
BrO A:Hoh643.94
BrO A:Hoh813.18
BrO A:Hoh1374.17
BrO A:Hoh1864.88

interactive model:


Bromine binding site 16 out of 18 in 2qfe


Bromine binding site 16 out of 18 in 2qfe
Click to enlarge
stereopicture of Bromine binding site 16 out of 18 in 2qfe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 16 of Bromine in the PDB 2qfe. 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: Leu812, A: Gln813, A: Hoh64, A: Hoh98, A: Hoh185,

conact list:


AtomAtomDistance (A)
BrO A:Leu8123.78
BrC A:Leu8124.94
BrNE2 A:Gln8134.99
BrCB A:Gln8134.69
BrO A:Hoh642.58
BrO A:Hoh983.03
BrO A:Hoh1853.95

interactive model:


Bromine binding site 17 out of 18 in 2qfe


Bromine binding site 17 out of 18 in 2qfe
Click to enlarge
stereopicture of Bromine binding site 17 out of 18 in 2qfe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 17 of Bromine in the PDB 2qfe. 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: Ser697, A: Gly698, A: Gln699, A: Hoh77, A: Hoh169,

conact list:


AtomAtomDistance (A)
BrO A:Ser6974.40
BrO A:Ser6974.60
BrN A:Gly6984.83
BrC A:Gly6984.05
BrCA A:Gly6983.82
BrN A:Gln6993.22
BrN A:Gln6993.30
BrOE1 A:Gln6994.67
BrCB A:Gln6993.66
BrCB A:Gln6994.21
BrCG A:Gln6994.97
BrCG A:Gln6994.32
BrCA A:Gln6994.06
BrCA A:Gln6994.31
BrO A:Hoh774.09
BrO A:Hoh1694.89

interactive model:


Bromine binding site 18 out of 18 in 2qfe


Bromine binding site 18 out of 18 in 2qfe
Click to enlarge
stereopicture of Bromine binding site 18 out of 18 in 2qfe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 18 of Bromine in the PDB 2qfe. 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: Arg759, A: Lys760, A: Ser761, A: Br10, A: Hoh48, A: Hoh69, A: Hoh145, A: Hoh147,

conact list:


AtomAtomDistance (A)
BrO A:Arg7594.93
BrN A:Lys7604.92
BrCB A:Lys7603.67
BrCD A:Lys7604.69
BrC A:Lys7603.80
BrCG A:Lys7603.77
BrCA A:Lys7603.55
BrO A:Ser7613.54
BrN A:Ser7613.09
BrCB A:Ser7614.80
BrOG A:Ser7614.61
BrC A:Ser7614.29
BrCA A:Ser7614.15
BrBR A:Br104.84
BrO A:Hoh484.13
BrO A:Hoh693.59
BrO A:Hoh1453.98
BrO A:Hoh1473.37

interactive model:




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