Chemical elements
  Barium
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    Detection of Barrium
    PDB 1djh-3iqp
      1djh
      1i0f
      1ihh
      1j6s
      1kd4
      1nta
      1qyk
      1sof
      1u9s
      1vbz
      1wro
      1xcs
      1xcu
      1y6s
      1y7f
      1zqb
      1zqn
      220d
      284d
      2adi
      2b5e
      2bou
      2cis
      2dns
      2dqo
      2drw
      2efu
      2efx
      2gpx
      2hol
      2itd
      2qde
      2v02
      2v2f
      2w2f
      2w54
      2w55
      2wsj
      2wtr
      2x6b
      3aa6
      3aa7
      3e8f
      3e8v
      3f2w
      3fqb
      3goj
      3gom
      3iqn
      3iqp
    PDB 3iqr-4e7y

Barium in the structure of Crystal Structure Of Single Point Mutant ARG48GLN of P- Coumaric Acid Decarboxylase From Lactobacillus Plantarum Structural Insights Into the Active Site and Decarboxylation Catalytic Mechanism (pdb 2w2f)






The binding sites of Barium atom in the structure of Crystal Structure Of Single Point Mutant ARG48GLN of P- Coumaric Acid Decarboxylase From Lactobacillus Plantarum Structural Insights Into the Active Site and Decarboxylation Catalytic Mechanism (pdb code 2w2f). This binding sites where shown with 5.0 Angstroms radius around Barium atom.
The 2w2f structure was solved by H.RODRIGUEZ, I.ANGULO, B.DE LAS RIVAS, N.CAMPILLO, J.A.PAEZ, R.MUNOZ, J.M.MANCHENO, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)35.8-1.7
Space groupP1211
a (A)39.248
b (A)94.924
c (A)106.722
alpha (°)90.00
beta (°)100.51
gamma (°)90.00
Rfactor (%)22.6
Rfree (%)27.3


Barium Binding Sites:

Barium binding site 1 out of 2 in 2w2f


Barium binding site 1 out of 2 in 2w2f
Click to enlarge
stereopicture of Barium binding site 1 out of 2 in 2w2f
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Barium in the PDB 2w2f. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Barium atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: Lys3, B: Asp9, B: Asp10, B: Phe11, B: Leu12, B: Gly13, B: Thr14, B: Asp142, B: Hoh2012, B: Hoh2014, B: Hoh2100, B: Hoh2101,

conact list:


AtomAtomDistance (A)
BaNZ B:Lys34.04
BaO B:Asp92.75
BaC B:Asp93.88
BaOD1 B:Asp94.89
BaO B:Asp102.90
BaN B:Asp104.38
BaC B:Asp103.59
BaCA B:Asp103.95
BaO B:Phe114.91
BaN B:Phe114.57
BaC B:Phe114.68
BaO B:Leu122.67
BaN B:Leu124.62
BaC B:Leu123.91
BaCA B:Leu124.82
BaN B:Gly134.82
BaCA B:Gly134.85
BaOG1 B:Thr144.82
BaOD2 B:Asp1424.98
BaOD1 B:Asp1424.37
BaCG B:Asp1424.90
BaO B:Hoh20122.79
BaO B:Hoh20144.72
BaO B:Hoh21002.79
BaO B:Hoh21012.85

interactive model:


Barium binding site 2 out of 2 in 2w2f


Barium binding site 2 out of 2 in 2w2f
Click to enlarge
stereopicture of Barium binding site 2 out of 2 in 2w2f
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Barium in the PDB 2w2f. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Barium atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: D: Lys3, D: Asp9, D: Asp10, D: Phe11, D: Leu12, D: Gly13, D: Thr14, D: Asp142, D: Hoh2002, D: Hoh2014, D: Hoh2109, D: Hoh2110, D: Hoh2112,

conact list:


AtomAtomDistance (A)
BaNZ D:Lys34.27
BaO D:Asp92.91
BaC D:Asp94.01
BaOD1 D:Asp94.75
BaO D:Asp102.92
BaN D:Asp104.47
BaC D:Asp103.55
BaCA D:Asp104.01
BaO D:Phe114.95
BaN D:Phe114.45
BaC D:Phe114.67
BaO D:Leu122.73
BaN D:Leu124.60
BaC D:Leu123.95
BaCA D:Leu124.82
BaN D:Gly134.88
BaCA D:Gly134.91
BaOG1 D:Thr144.90
BaOD2 D:Asp1424.81
BaOD1 D:Asp1424.38
BaCG D:Asp1424.86
BaO D:Hoh20024.71
BaO D:Hoh20142.63
BaO D:Hoh21092.85
BaO D:Hoh21102.97
BaO D:Hoh21122.89

interactive model:




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