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      3mbb
      3mbg
      3mbx
      3mby
      3mc1
      3mcq
      3md7
      3mda
      3mdc
      3me2
      3me4
      3meq
      3mga
      3mgh
      3mgi
      3mi3
      3mic
      3mie
      3mih
      3mj6
      3mjf
      3mk1
      3mmo
      3mnb
      3mnc
      3mnh
      3mni
      3mnj
      3mnk
      3mns
      3mnx
      3mnz
      3mo3
      3mo6
      3mo9
      3moc
      3moe
      3mof
      3moh
      3mok
      3mos
      3moy
      3mpn
      3mpq
      3mqd
      3mqg
      3mqh
      3mqo
      3mqq
      3mr1
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    PDB 8icx-9icy

Sodium in the structure of Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum (pdb 3mc1)






The binding sites of Sodium atom in the structure of Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum (pdb code 3mc1). This binding sites where shown with 5.0 Angstroms radius around Sodium atom.
The 3mc1 structure was solved by S.ESWARAMOORTHY, S.K.BURLEY, S.SWAMINATHAN, NEW YORK SGXRESEARCH CENTER FOR STRUCTURAL GENOMICS (NYSGXRC), with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)50.0-1.9
Space groupP1211
a (A)63.938
b (A)53.524
c (A)64.182
alpha (°)90.00
beta (°)97.10
gamma (°)90.00
Rfactor (%)22.4
Rfree (%)27.2


Sodium Binding Sites:

Sodium binding site 1 out of 2 in 3mc1


Sodium binding site 1 out of 2 in 3mc1
Click to enlarge
stereopicture of Sodium binding site 1 out of 2 in 3mc1
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 3mc1. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Sodium atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Asp8, A: Asp10, A: Gly11, A: Thr12, A: Val45, A: Gly46, A: Asp165, A: Arg166, A: Asp169, A: Hoh229, A: Hoh236, A: Hoh252, A: Hoh266,

conact list:


AtomAtomDistance (A)
NaCB A:Asp84.07
NaOD2 A:Asp82.11
NaOD1 A:Asp84.29
NaCG A:Asp83.33
NaO A:Asp102.25
NaN A:Asp104.51
NaCB A:Asp104.51
NaC A:Asp103.45
NaCA A:Asp104.37
NaN A:Gly114.35
NaC A:Gly114.66
NaCA A:Gly114.35
NaN A:Thr124.82
NaOG1 A:Thr124.39
NaO A:Val454.82
NaN A:Gly464.74
NaC A:Gly464.89
NaCA A:Gly463.87
NaN A:Asp1654.62
NaCB A:Asp1654.67
NaOD2 A:Asp1653.64
NaOD1 A:Asp1652.29
NaCG A:Asp1653.32
NaCG A:Arg1664.35
NaOD2 A:Asp1693.95
NaOD1 A:Asp1694.94
NaCG A:Asp1694.86
NaO A:Hoh2294.68
NaO A:Hoh2364.19
NaO A:Hoh2522.37
NaO A:Hoh2662.21

interactive model:


Sodium binding site 2 out of 2 in 3mc1


Sodium binding site 2 out of 2 in 3mc1
Click to enlarge
stereopicture of Sodium binding site 2 out of 2 in 3mc1
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Sodium in the PDB 3mc1. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Sodium atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: Asp8, B: Asp10, B: Gly11, B: Thr12, B: Val45, B: Gly46, B: Asp165, B: Arg166, B: Asp169, B: Hoh234, B: Hoh235, B: Hoh237, B: Hoh238,

conact list:


AtomAtomDistance (A)
NaCB B:Asp84.18
NaOD2 B:Asp82.25
NaOD1 B:Asp84.25
NaCG B:Asp83.38
NaO B:Asp102.16
NaN B:Asp104.47
NaCB B:Asp104.35
NaC B:Asp103.34
NaCA B:Asp104.26
NaN B:Gly114.23
NaC B:Gly114.58
NaCA B:Gly114.24
NaN B:Thr124.84
NaOG1 B:Thr124.41
NaO B:Val454.73
NaN B:Gly464.75
NaCA B:Gly463.95
NaN B:Asp1654.65
NaCB B:Asp1654.72
NaOD2 B:Asp1653.64
NaOD1 B:Asp1652.35
NaCG B:Asp1653.36
NaCB B:Arg1664.95
NaCG B:Arg1664.16
NaOD2 B:Asp1694.05
NaOD1 B:Asp1694.91
NaCG B:Asp1694.91
NaO B:Hoh2342.39
NaO B:Hoh2352.48
NaO B:Hoh2374.32
NaO B:Hoh2384.84

interactive model:




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