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Copper in the structure of Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133F From Thermus Thermophilus (pdb 4f05)

The binding sites of Copper atom in the structure of Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133F From Thermus Thermophilus (pdb code 4f05). This binding sites where shown with 5.0 Angstroms radius around Copper atom.
The 4f05 structure was solved by Y.LI, Y.CHEN, C.D.STOUT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)70.9-2.8
Space groupC121
a (A)144.140
b (A)98.580
c (A)94.800
alpha (°)90.00
beta (°)127.89
gamma (°)90.00
Rfactor (%)18.5
Rfree (%)23.5

Copper Binding Sites:

Copper binding site 1 out of 3 in 4f05


Copper binding site 1 out of 3 in 4f05
Click to enlarge
stereopicture of Copper binding site 1 out of 3 in 4f05
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 4f05. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Copper atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: His233, A: His282, A: His283, A: Has603, A: Hoh701,

conact list:


AtomAtomDistance (A)
CuO A:His2334.68
CuNE2 A:His2334.00
CuN A:His2334.62
CuCB A:His2332.96
CuND1 A:His2331.88
CuCD2 A:His2333.91
CuC A:His2334.56
CuCE1 A:His2332.98
CuCG A:His2332.73
CuCA A:His2333.62
CuNE2 A:His2822.01
CuND1 A:His2824.10
CuCD2 A:His2823.01
CuCE1 A:His2822.99
CuCG A:His2824.15
CuNE2 A:His2832.07
CuND1 A:His2833.89
CuCD2 A:His2833.16
CuCE1 A:His2832.76
CuCG A:His2834.11
CuC2D A:Has6034.46
CuCHA A:Has6034.74
CuC1D A:Has6034.25
CuFE A:Has6034.79
CuC4D A:Has6034.32
CuCHB A:Has6034.64
CuC3D A:Has6034.51
CuND A:Has6034.40
CuO A:Hoh7012.46

interactive model:


Copper binding site 2 out of 3 in 4f05


Copper binding site 2 out of 3 in 4f05
Click to enlarge
stereopicture of Copper binding site 2 out of 3 in 4f05
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 4f05. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Copper atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: His114, B: Cys149, B: Asn150, B: Gln151, B: Tyr152, B: Cys153, B: His157, B: Met160, B: Cua201,

conact list:


AtomAtomDistance (A)
CuND1 B:His1144.51
CuO B:Cys1494.28
CuCB B:Cys1493.52
CuSG B:Cys1492.44
CuC B:Cys1494.28
CuCA B:Cys1494.52
CuN B:Asn1504.70
CuO B:Gln1512.74
CuN B:Gln1514.38
CuC B:Gln1513.65
CuCA B:Gln1514.61
CuN B:Tyr1524.29
CuC B:Tyr1524.18
CuCA B:Tyr1524.17
CuN B:Cys1533.73
CuCB B:Cys1533.41
CuSG B:Cys1532.45
CuCA B:Cys1534.19
CuO B:His1574.04
CuNE2 B:His1574.10
CuN B:His1574.90
CuCB B:His1573.47
CuND1 B:His1572.08
CuCD2 B:His1574.17
CuC B:His1574.32
CuCE1 B:His1572.99
CuCG B:His1573.09
CuCA B:His1573.69
CuSD B:Met1604.66
CuCU1 B:Cua2010.00
CuCU2 B:Cua2012.70

interactive model:


Copper binding site 3 out of 3 in 4f05


Copper binding site 3 out of 3 in 4f05
Click to enlarge
stereopicture of Copper binding site 3 out of 3 in 4f05
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 4f05. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Copper atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: Phe86, B: Phe88, B: Ile113, B: His114, B: Gly115, B: Cys149, B: Gln151, B: Cys153, B: His157, B: Met160, B: Cua201,

conact list:


AtomAtomDistance (A)
CuO B:Phe864.96
CuCD2 B:Phe884.64
CuO B:Ile1134.50
CuNE2 B:His1144.12
CuCB B:His1143.48
CuND1 B:His1142.09
CuCD2 B:His1144.20
CuCE1 B:His1143.00
CuCG B:His1143.11
CuCA B:His1144.09
CuN B:Gly1154.80
CuCB B:Cys1493.47
CuSG B:Cys1492.33
CuCA B:Cys1494.89
CuO B:Gln1514.24
CuN B:Cys1534.99
CuCB B:Cys1533.12
CuSG B:Cys1532.30
CuCA B:Cys1534.59
CuND1 B:His1574.71
CuCB B:Met1604.36
CuCE B:Met1603.24
CuCG B:Met1603.97
CuSD B:Met1602.57
CuCU1 B:Cua2012.70
CuCU2 B:Cua2010.00

interactive model:




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