Mercury in the structure of Crystal Structure of RTT109-Ac-Coa Complex (pdb 3d35)

The binding sites of Mercury atom in the structure of Crystal Structure of RTT109-Ac-Coa Complex (pdb code 3d35). This binding sites where shown with 5.0 Angstroms radius around Mercury atom.
The 3d35 structure was solved by Y.TANG, R.MARMORSTEIN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)50.0-3.1
Space groupF432
a (A)233.791
b (A)233.791
c (A)233.791
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)19.4
Rfree (%)25.8

Mercury Binding Sites:

Mercury binding site 1 out of 2 in 3d35


Mercury binding site 1 out of 2 in 3d35
Click to enlarge
stereopicture of Mercury binding site 1 out of 2 in 3d35
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 3d35. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Mercury atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Gly92, A: Tyr93, A: Cys94, A: Asn95, A: Thr96, A: Arg97,

conact list:


AtomAtomDistance (A)
HgC A:Gly924.81
HgCA A:Gly924.72
HgN A:Tyr934.60
HgC A:Tyr934.89
HgO A:Cys942.35
HgN A:Cys943.69
HgCB A:Cys943.66
HgSG A:Cys942.39
HgC A:Cys943.39
HgCA A:Cys943.81
HgN A:Asn954.59
HgC A:Asn954.98
HgO A:Thr962.97
HgN A:Thr964.56
HgC A:Thr964.14
HgN A:Arg974.99
HgCA A:Arg974.95

interactive model:


Mercury binding site 2 out of 2 in 3d35


Mercury binding site 2 out of 2 in 3d35
Click to enlarge
stereopicture of Mercury binding site 2 out of 2 in 3d35
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 3d35. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Mercury atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Glu109, A: Glu232, A: Cys233,

conact list:


AtomAtomDistance (A)
HgOE1 A:Glu1092.74
HgOE2 A:Glu1094.52
HgCD A:Glu1093.80
HgCG A:Glu1094.68
HgO A:Glu2322.77
HgCB A:Glu2324.94
HgC A:Glu2323.81
HgN A:Cys2334.32
HgCB A:Cys2333.69
HgSG A:Cys2332.40
HgCA A:Cys2333.91

interactive model:




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