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
    PDB 2qgd-2wb9
    PDB 2wbb-3biy
    PDB 3bm9-3eki
    PDB 3en9-3hvo
    PDB 3hzw-3lbz
    PDB 3ld5-3ot3
    PDB 3oyp-4de3
      3oyp
      3p0n
      3p8h
      3p8n
      3plq
      3po2
      3po3
      3pvg
      3q17
      3sgm
      3sgn
      3sre
      3srg
      3ssk
      3stv
      3svd
      3sve
      3t03
      3t0t
      3t6i
      3tfv
      3tuu
      3u6x
      3udp
      3udq
      3udy
      3v7t
      3v8m
      3v8n
      3v8p
      3v8r
      3vbx
      3vqh
      3zwx
      3zwy
      406d
      421d
      430d
      458d
      459d
      474d
      4a93
      4ack
      4aje
      4ajh
      4anm
      4b29
      4b4p
      4bna
      4de3
    PDB 4dey-9est

Bromine in the structure of Rat Ldha in Complex With N-(2-Methyl-1,3-Benzothiazol-6-Yl)-3-Ureido- Propanamide and 2-(4-Bromophenoxy)Propanedioic Acid (pdb 4ajh)






The binding sites of Bromine atom in the structure of Rat Ldha in Complex With N-(2-Methyl-1,3-Benzothiazol-6-Yl)-3-Ureido- Propanamide and 2-(4-Bromophenoxy)Propanedioic Acid (pdb code 4ajh). This binding sites where shown with 5.0 Angstroms radius around Bromine atom.
The 4ajh structure was solved by J.A.TUCKER, C.BRASSINGTON, G.HASSALL, M.WATSON, R.WARD, J.TART, G.DAVIES, R.GREENWOOD, S.PEARSON, J.DEBRECZENI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)64.1-1.9
Space groupP1211
a (A)62.055
b (A)81.656
c (A)128.941
alpha (°)90.00
beta (°)96.11
gamma (°)90.00
Rfactor (%)15.15
Rfree (%)18.89


Bromine Binding Sites:

Bromine binding site 1 out of 2 in 4ajh


Bromine binding site 1 out of 2 in 4ajh
Click to enlarge
stereopicture of Bromine binding site 1 out of 2 in 4ajh
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 4ajh. 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: Val30, B: Thr94, B: Arg98, B: Val135, B: Ser136, B: Asn137, B: 88s1333, B: 2b41334, B: Hoh2101, B: Hoh2105,

conact list:


AtomAtomDistance (A)
BrCB B:Val304.47
BrCG2 B:Val304.49
BrCG1 B:Val304.63
BrO B:Thr943.06
BrCB B:Thr944.52
BrC B:Thr943.98
BrCA B:Thr944.31
BrCD B:Arg984.93
BrCG B:Arg984.43
BrO B:Val1354.52
BrC B:Val1354.61
BrN B:Ser1364.32
BrCB B:Ser1364.62
BrOG B:Ser1364.64
BrC B:Ser1364.83
BrCA B:Ser1363.87
BrN B:Asn1374.80
BrO18 B:88s13334.72
BrN19 B:88s13333.27
BrC17 B:88s13334.41
BrC1 B:2b413344.15
BrBR1 B:2b413340.00
BrC2 B:2b413342.85
BrC6 B:2b413344.66
BrC5 B:2b413344.13
BrC4 B:2b413342.83
BrC3 B:2b413341.90
BrO B:Hoh21013.36
BrO B:Hoh21054.29

interactive model:


Bromine binding site 2 out of 2 in 4ajh


Bromine binding site 2 out of 2 in 4ajh
Click to enlarge
stereopicture of Bromine binding site 2 out of 2 in 4ajh
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 4ajh. 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: Val30, C: Thr94, C: Val135, C: Ser136, C: Asn137, C: 88s1335, C: 2b41336, C: Hoh2095, C: Hoh2104, C: Hoh2134,

conact list:


AtomAtomDistance (A)
BrCB C:Val304.47
BrCG2 C:Val304.50
BrCG1 C:Val304.56
BrO C:Thr942.91
BrCB C:Thr944.52
BrC C:Thr943.89
BrCA C:Thr944.25
BrO C:Val1354.47
BrC C:Val1354.64
BrN C:Ser1364.34
BrCB C:Ser1364.56
BrOG C:Ser1364.52
BrC C:Ser1364.71
BrCA C:Ser1363.81
BrN C:Asn1374.67
BrO18 C:88s13354.55
BrN19 C:88s13353.32
BrC17 C:88s13354.35
BrC1 C:2b413364.15
BrBR1 C:2b413360.00
BrC2 C:2b413362.85
BrC6 C:2b413364.66
BrC5 C:2b413364.15
BrC4 C:2b413362.85
BrC3 C:2b413361.90
BrO C:Hoh20953.14
BrO C:Hoh21044.29
BrO C:Hoh21342.38

interactive model:




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