Chemical elements
  Manganese
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      2iie
      2iif
      2ilz
      2im1
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      2je7
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      2jfs
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      2jlz
      2kfn
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Manganese in the structure of Crystal Structure of Basillus Subtilis Family II Inorganic Pyrophosphatase Mutant, H98Q, in Complex With Pnp (pdb 2iw4)






The binding sites of Manganese atom in the structure of Crystal Structure of Basillus Subtilis Family II Inorganic Pyrophosphatase Mutant, H98Q, in Complex With Pnp (pdb code 2iw4). This binding sites where shown with 5.0 Angstroms radius around Manganese atom.
The 2iw4 structure was solved by I.P.FABRICHNIY, L.LEHTIO, E.OKSANEN, A.GOLDMAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)30.0-2.1
Space groupP212121
a (A)59.908
b (A)115.249
c (A)148.060
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)16.9
Rfree (%)20.5


Manganese Binding Sites:

Manganese binding site 1 out of 3 in 2iw4


Manganese binding site 1 out of 3 in 2iw4
Click to enlarge
stereopicture of Manganese binding site 1 out of 3 in 2iw4
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2iw4. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: His9, A: Asp13, A: Asp15, A: Thr16, A: Asp75, A: Gln98, A: Asp149, A: Lys205, A: Fe1309, A: Fe1310, A: Mg1311, A: Mg1312, A: Mn1314, A: 2pn1315, A: Hoh2013, A: Hoh2105, A: Hoh2195,

conact list:


AtomAtomDistance (A)
MnNE2 A:His92.28
MnND1 A:His94.37
MnCD2 A:His93.28
MnCE1 A:His93.23
MnCG A:His94.42
MnN A:Asp134.99
MnCB A:Asp134.27
MnOD2 A:Asp132.57
MnOD1 A:Asp132.30
MnCG A:Asp132.79
MnCB A:Asp154.40
MnOD2 A:Asp154.74
MnN A:Thr164.37
MnCB A:Thr164.40
MnOG1 A:Thr163.83
MnCA A:Thr164.92
MnO A:Asp754.38
MnCB A:Asp754.36
MnOD2 A:Asp753.24
MnOD1 A:Asp752.08
MnCG A:Asp753.00
MnNE2 A:Gln984.53
MnOD1 A:Asp1494.74
MnCE A:Lys2054.74
MnNZ A:Lys2054.23
MnFE A:Fe13090.00
MnFE A:Fe13103.40
MnMG A:Mg13114.88
MnMG A:Mg13123.47
MnMN A:Mn13143.40
MnN1 A:2pn13154.45
MnO2 A:2pn13153.62
MnP1 A:2pn13153.05
MnO1 A:2pn13153.56
MnO3 A:2pn13152.03
MnO A:Hoh20134.19
MnO A:Hoh21054.82
MnO A:Hoh21952.06

interactive model:


Manganese binding site 2 out of 3 in 2iw4


Manganese binding site 2 out of 3 in 2iw4
Click to enlarge
stereopicture of Manganese binding site 2 out of 3 in 2iw4
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 2iw4. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Asp13, A: Asp15, A: Asp75, A: His97, A: Gln98, A: Cys118, A: Thr119, A: Asp149, A: Lys296, A: Fe1309, A: Fe1310, A: Mg1312, A: Mn1313, A: 2pn1315, A: Hoh2195, A: Hoh2196,

conact list:


AtomAtomDistance (A)
MnOD2 A:Asp134.97
MnOD1 A:Asp134.95
MnCB A:Asp153.40
MnOD2 A:Asp152.20
MnOD1 A:Asp154.29
MnCG A:Asp153.14
MnCA A:Asp154.86
MnCB A:Asp754.38
MnOD2 A:Asp752.24
MnOD1 A:Asp753.53
MnCG A:Asp753.15
MnNE2 A:His972.34
MnND1 A:His974.36
MnCD2 A:His973.45
MnCE1 A:His973.16
MnCG A:His974.53
MnNE2 A:Gln983.84
MnCA A:Cys1184.86
MnN A:Thr1194.39
MnCB A:Thr1194.91
MnOG1 A:Thr1193.98
MnCB A:Asp1494.59
MnOD2 A:Asp1492.26
MnOD1 A:Asp1493.51
MnCG A:Asp1493.24
MnNZ A:Lys2964.62
MnFE A:Fe13093.40
MnFE A:Fe13100.00
MnMG A:Mg13123.96
MnMN A:Mn13133.40
MnN1 A:2pn13154.70
MnO2 A:2pn13153.90
MnP1 A:2pn13153.30
MnO1 A:2pn13152.20
MnO3 A:2pn13153.65
MnO A:Hoh21952.32
MnO A:Hoh21964.51

interactive model:


Manganese binding site 3 out of 3 in 2iw4


Manganese binding site 3 out of 3 in 2iw4
Click to enlarge
stereopicture of Manganese binding site 3 out of 3 in 2iw4
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Manganese in the PDB 2iw4. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: Asp13, B: Asp15, B: Asp75, B: His97, B: Gln98, B: Cys118, B: Thr119, B: Asp149, B: Lys296, B: Fe1311, B: Fe1312, B: Mg1314, B: 2pn1318, B: Hoh2283, B: Hoh2284,

conact list:


AtomAtomDistance (A)
MnOD2 B:Asp134.93
MnCB B:Asp153.45
MnOD2 B:Asp154.35
MnOD1 B:Asp152.25
MnCG B:Asp153.21
MnCA B:Asp154.91
MnCB B:Asp754.32
MnOD2 B:Asp752.17
MnOD1 B:Asp753.45
MnCG B:Asp753.07
MnNE2 B:His972.38
MnND1 B:His974.38
MnCD2 B:His973.51
MnCE1 B:His973.17
MnCG B:His974.58
MnNE2 B:Gln983.86
MnCA B:Cys1184.84
MnN B:Thr1194.35
MnCB B:Thr1194.84
MnOG1 B:Thr1193.87
MnCB B:Asp1494.64
MnOD2 B:Asp1492.29
MnOD1 B:Asp1493.51
MnCG B:Asp1493.27
MnNZ B:Lys2964.74
MnFE B:Fe13113.50
MnFE B:Fe13120.00
MnMG B:Mg13143.90
MnN1 B:2pn13184.72
MnO2 B:2pn13183.88
MnP1 B:2pn13183.34
MnO1 B:2pn13182.28
MnO3 B:2pn13183.74
MnO B:Hoh22831.94
MnO B:Hoh22844.43

interactive model:




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