Chemical elements
  Mercury
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    PDB 12ca-1dr4
    PDB 1dr5-1ht3
    PDB 1hzx-1mms
    PDB 1moo-1rhy
    PDB 1rnr-1zfk
    PDB 1zfq-2geh
    PDB 2gv9-2wcd
    PDB 2wiu-3k34
      2wiu
      2wpv
      2x1x
      2x49
      2xgx
      2z9g
      357d
      3a0r
      3a0w
      3ajw
      3b4f
      3bl0
      3bl1
      3c7p
      3ca2
      3caj
      3ckw
      3d35
      3d8d
      3dd8
      3duz
      3ebq
      3efi
      3eft
      3efu
      3erz
      3f0p
      3f2f
      3f2h
      3f4x
      3f7f
      3f8e
      3ffp
      3fn8
      3fw0
      3g5u
      3gfh
      3h90
      3hfp
      3hfx
      3i34
      3ibi
      3ibl
      3ibn
      3ibu
      3ieo
      3igq
      3ii2
      3k2f
      3k34
    PDB 3k4o-9ca2

Mercury in the structure of Crystal Structure of Human PPPDE1 (pdb 3ebq)






The binding sites of Mercury atom in the structure of Crystal Structure of Human PPPDE1 (pdb code 3ebq). This binding sites where shown with 5.0 Angstroms radius around Mercury atom.
The 3ebq structure was solved by J.R.WALKER, M.AKUTSU, L.QIU, Y.LI, Y.SLESSAREV, C.BOUNTRA, J.WEIGELT, C.H.ARROWSMITH, A.M.EDWARDS, A.BOTCHKAREV, S.DHE-PAGANON, STRUCTURAL GENOMICS CONSORTIUM (SGC), with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)28.0-1.9
Space groupP43212
a (A)41.625
b (A)41.625
c (A)184.239
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)22.4
Rfree (%)27.3


Mercury Binding Sites:

Mercury binding site 1 out of 3 in 3ebq


Mercury binding site 1 out of 3 in 3ebq
Click to enlarge
stereopicture of Mercury binding site 1 out of 3 in 3ebq
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 3ebq. 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: Cys58, A: Pro59, A: Gly62, A: Thr63,

conact list:


AtomAtomDistance (A)
HgCB A:Cys583.13
HgSG A:Cys582.46
HgCA A:Cys584.24
HgCD A:Pro594.89
HgO A:Gly623.05
HgC A:Gly623.97
HgN A:Thr634.32
HgCB A:Thr634.86
HgC A:Thr634.76
HgCA A:Thr633.96

interactive model:


Mercury binding site 2 out of 3 in 3ebq


Mercury binding site 2 out of 3 in 3ebq
Click to enlarge
stereopicture of Mercury binding site 2 out of 3 in 3ebq
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 3ebq. 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: Trp37, A: His38, A: Tyr101, A: Asn107, A: Cys108, A: Asn109, A: Hg202,

conact list:


AtomAtomDistance (A)
HgO A:Trp374.20
HgN A:His384.99
HgCB A:His384.21
HgND1 A:His383.96
HgCG A:His384.55
HgCA A:His384.20
HgOH A:Tyr1014.13
HgCB A:Asn1074.02
HgND2 A:Asn1074.44
HgC A:Asn1074.66
HgOD1 A:Asn1074.33
HgCG A:Asn1074.08
HgCA A:Asn1074.90
HgN A:Cys1083.66
HgN A:Cys1083.66
HgCB A:Cys1083.49
HgCB A:Cys1083.49
HgSG A:Cys1084.54
HgSG A:Cys1082.35
HgC A:Cys1084.55
HgC A:Cys1084.59
HgCA A:Cys1084.06
HgCA A:Cys1084.08
HgN A:Asn1094.18
HgND2 A:Asn1093.86
HgOD1 A:Asn1094.51
HgCG A:Asn1094.30
HgHG A:Hg2020.00
HgHG A:Hg2023.86

interactive model:


Mercury binding site 3 out of 3 in 3ebq


Mercury binding site 3 out of 3 in 3ebq
Click to enlarge
stereopicture of Mercury binding site 3 out of 3 in 3ebq
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Mercury in the PDB 3ebq. 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: His38, A: Phe50, A: Gly51, A: Tyr101, A: Cys108, A: Hg202,

conact list:


AtomAtomDistance (A)
HgNE2 A:His384.91
HgND1 A:His383.43
HgCE1 A:His383.68
HgCG A:His384.67
HgO A:Phe503.88
HgC A:Phe504.57
HgCA A:Gly514.71
HgCD1 A:Tyr1014.96
HgCZ A:Tyr1014.30
HgCE1 A:Tyr1013.90
HgOH A:Tyr1013.99
HgN A:Cys1084.29
HgN A:Cys1084.28
HgCB A:Cys1083.15
HgCB A:Cys1083.18
HgSG A:Cys1082.29
HgSG A:Cys1083.72
HgCA A:Cys1084.26
HgCA A:Cys1084.25
HgHG A:Hg2023.86
HgHG A:Hg2020.00

interactive model:




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