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Copper in the structure of Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus (pdb 4esl)

The binding sites of Copper atom in the structure of Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus (pdb code 4esl). This binding sites where shown with 5.0 Angstroms radius around Copper atom.
The 4esl structure was solved by Y.LI, Y.CHEN, STOUT C.D., with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)50.0-2.8
Space groupC121
a (A)143.380
b (A)98.880
c (A)95.490
alpha (°)90.00
beta (°)127.52
gamma (°)90.00
Rfactor (%)17.7
Rfree (%)22.7

Copper Binding Sites:

Copper binding site 1 out of 3 in 4esl


Copper binding site 1 out of 3 in 4esl
Click to enlarge
stereopicture of Copper binding site 1 out of 3 in 4esl
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 4esl. 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: Hoh747,

conact list:


AtomAtomDistance (A)
CuO A:His2334.86
CuNE2 A:His2332.84
CuN A:His2334.82
CuCB A:His2333.22
CuND1 A:His2333.80
CuCD2 A:His2331.76
CuC A:His2334.80
CuCE1 A:His2333.86
CuCG A:His2332.68
CuCA A:His2333.85
CuNE2 A:His2822.20
CuND1 A:His2824.28
CuCD2 A:His2823.18
CuCE1 A:His2823.16
CuCG A:His2824.32
CuNE2 A:His2832.04
CuND1 A:His2834.00
CuCD2 A:His2833.10
CuCE1 A:His2832.88
CuCG A:His2834.14
CuC2D A:Has6034.29
CuCHA A:Has6034.77
CuC1D A:Has6034.25
CuFE A:Has6034.79
CuC4D A:Has6034.38
CuCHB A:Has6034.76
CuC3D A:Has6034.61
CuND A:Has6034.45
CuCMD A:Has6034.99
CuO A:Hoh7472.43

interactive model:


Copper binding site 2 out of 3 in 4esl


Copper binding site 2 out of 3 in 4esl
Click to enlarge
stereopicture of Copper binding site 2 out of 3 in 4esl
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 4esl. 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:His1144.38
CuO B:Cys1494.13
CuCB B:Cys1493.33
CuSG B:Cys1492.26
CuC B:Cys1494.24
CuCA B:Cys1494.40
CuN B:Asn1504.82
CuO B:Gln1512.43
CuN B:Gln1514.28
CuC B:Gln1513.48
CuCA B:Gln1514.49
CuN B:Tyr1524.20
CuC B:Tyr1524.10
CuCA B:Tyr1524.09
CuN B:Cys1533.51
CuCB B:Cys1533.38
CuSG B:Cys1532.20
CuCA B:Cys1534.09
CuO B:His1574.24
CuNE2 B:His1574.04
CuCB B:His1573.63
CuND1 B:His1572.04
CuCD2 B:His1574.20
CuC B:His1574.47
CuCE1 B:His1572.87
CuCG B:His1573.16
CuCA B:His1573.90
CuSD B:Met1604.54
CuCU1 B:Cua2010.00
CuCU2 B:Cua2012.67

interactive model:


Copper binding site 3 out of 3 in 4esl


Copper binding site 3 out of 3 in 4esl
Click to enlarge
stereopicture of Copper binding site 3 out of 3 in 4esl
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 4esl. 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:Phe864.82
CuCD2 B:Phe884.84
CuO B:Ile1134.65
CuNE2 B:His1144.03
CuCB B:His1143.71
CuND1 B:His1142.08
CuCD2 B:His1144.20
CuCE1 B:His1142.85
CuCG B:His1143.20
CuCA B:His1144.18
CuN B:Gly1154.84
CuCB B:Cys1493.29
CuSG B:Cys1492.27
CuCA B:Cys1494.72
CuO B:Gln1514.10
CuN B:Cys1534.85
CuCB B:Cys1533.18
CuSG B:Cys1532.27
CuCA B:Cys1534.60
CuND1 B:His1574.62
CuCB B:Met1604.34
CuCE B:Met1603.10
CuCG B:Met1603.81
CuSD B:Met1602.43
CuCU1 B:Cua2012.67
CuCU2 B:Cua2010.00

interactive model:




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