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Mercury in PDB 6sdh: Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm

Enzymatic activity of Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm, PDB code: 6sdh was solved by S.Gloeckner, M.Haake, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.90 / 1.04
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.298, 41.739, 72.337, 90.00, 104.11, 90.00
R / Rfree (%) 13.1 / 14.8

Other elements in 6sdh:

The structure of Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm (pdb code 6sdh). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm, PDB code: 6sdh:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in 6sdh

Go back to Mercury Binding Sites List in 6sdh
Mercury binding site 1 out of 2 in the Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg303

b:10.9
occ:0.62
HG A:BE7303 0.0 10.9 0.6
HG A:HG304 1.2 10.5 0.1
C5 A:BE7303 2.2 11.5 0.6
SG A:CYS206 2.3 12.5 0.8
HB3 A:CYS206 2.4 29.0 0.1
O A:GLN137 2.9 11.1 1.0
O A:HOH485 3.0 17.9 1.0
HA A:CYS206 3.1 9.9 0.8
CB A:CYS206 3.1 24.1 0.1
C4 A:BE7303 3.1 11.6 0.6
O A:GLU205 3.1 11.4 1.0
C6 A:BE7303 3.1 13.1 0.6
HA A:CYS206 3.2 21.0 0.1
CB A:CYS206 3.3 9.7 0.8
HA A:PRO138 3.4 14.3 1.0
C A:GLN137 3.4 11.0 1.0
C A:GLU205 3.4 9.5 1.0
CA A:CYS206 3.5 17.5 0.1
CA A:CYS206 3.5 8.3 0.8
HB3 A:CYS206 3.5 11.7 0.8
H A:GLN137 3.5 13.9 1.0
SG A:CYS206 3.6 27.1 0.1
N A:CYS206 3.6 13.7 0.1
N A:CYS206 3.7 8.7 0.8
N A:GLN137 3.7 11.6 1.0
O A:HOH507 3.8 17.6 1.0
N A:PRO138 3.9 11.4 1.0
HB2 A:CYS206 3.9 29.0 0.1
H A:GLU205 4.0 11.9 1.0
CA A:PRO138 4.1 11.9 1.0
CA A:GLN137 4.1 11.6 1.0
HB3 A:LEU204 4.1 14.4 1.0
O A:VAL135 4.1 14.2 1.0
C A:GLN136 4.2 12.4 1.0
HB2 A:CYS206 4.2 11.7 0.8
N A:GLU205 4.2 9.9 1.0
H A:CYS206 4.2 16.5 0.1
H A:CYS206 4.3 10.4 0.8
HA A:GLN136 4.3 15.3 1.0
CA A:GLU205 4.4 9.4 1.0
HA A:GLN137 4.4 13.9 1.0
C3 A:BE7303 4.4 12.2 0.6
C7 A:BE7303 4.4 12.7 0.6
C A:VAL135 4.5 11.8 1.0
HB2 A:GLU205 4.6 12.5 1.0
HD3 A:PRO138 4.7 15.9 1.0
HA A:VAL135 4.7 14.3 1.0
O A:GLN136 4.7 14.1 1.0
CA A:GLN136 4.7 12.7 1.0
N A:GLN136 4.9 12.5 1.0
O A:HOH550 4.9 31.7 1.0
CD A:PRO138 4.9 13.2 1.0
C A:LEU204 4.9 9.1 1.0
C2 A:BE7303 4.9 12.6 0.6
HB3 A:PRO138 4.9 17.5 1.0
C A:CYS206 5.0 8.8 0.8
C A:PRO138 5.0 11.3 1.0
C A:CYS206 5.0 13.6 0.1
HH22 A:ARG27 5.0 12.3 0.1
CB A:GLU205 5.0 10.4 1.0

Mercury binding site 2 out of 2 in 6sdh

Go back to Mercury Binding Sites List in 6sdh
Mercury binding site 2 out of 2 in the Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg304

b:10.5
occ:0.15
HG A:BE7303 1.2 10.9 0.6
SG A:CYS206 1.4 12.5 0.8
HB3 A:CYS206 2.0 29.0 0.1
O A:HOH485 2.5 17.9 1.0
CB A:CYS206 2.7 24.1 0.1
SG A:CYS206 2.7 27.1 0.1
CB A:CYS206 2.8 9.7 0.8
HB3 A:CYS206 3.1 11.7 0.8
O A:VAL135 3.1 14.2 1.0
O A:GLN137 3.2 11.1 1.0
H A:GLN137 3.3 13.9 1.0
HB3 A:LEU204 3.3 14.4 1.0
HA A:CYS206 3.3 9.9 0.8
C5 A:BE7303 3.3 11.5 0.6
HB2 A:CYS206 3.5 29.0 0.1
CA A:CYS206 3.5 8.3 0.8
CA A:CYS206 3.5 17.5 0.1
HA A:CYS206 3.5 21.0 0.1
HB2 A:CYS206 3.5 11.7 0.8
C A:VAL135 3.6 11.8 1.0
N A:GLN137 3.6 11.6 1.0
HA A:VAL135 3.6 14.3 1.0
N A:CYS206 3.6 13.7 0.1
N A:CYS206 3.7 8.7 0.8
C A:GLU205 3.8 9.5 1.0
O A:GLU205 3.8 11.4 1.0
O A:HOH507 3.9 17.6 1.0
C A:GLN137 3.9 11.0 1.0
HA A:GLN136 3.9 15.3 1.0
H A:GLU205 4.0 11.9 1.0
H A:CYS206 4.0 16.5 0.1
C6 A:BE7303 4.1 13.1 0.6
C A:GLN136 4.1 12.4 1.0
N A:GLN136 4.1 12.5 1.0
H A:CYS206 4.2 10.4 0.8
N A:GLU205 4.2 9.9 1.0
CA A:VAL135 4.2 11.9 1.0
CB A:LEU204 4.2 12.0 1.0
CA A:GLN136 4.2 12.7 1.0
C4 A:BE7303 4.3 11.6 0.6
HA A:PRO138 4.3 14.3 1.0
HD13 A:LEU204 4.4 19.9 1.0
HB2 A:LEU204 4.4 14.4 1.0
CA A:GLN137 4.4 11.6 1.0
HB A:VAL135 4.5 15.9 1.0
C A:LEU204 4.5 9.1 1.0
CA A:GLU205 4.6 9.4 1.0
HD22 A:LEU204 4.6 20.5 1.0
O A:ALA134 4.6 11.6 1.0
N A:PRO138 4.7 11.4 1.0
H A:GLN136 4.8 15.0 1.0
HA A:GLN137 4.8 13.9 1.0
O A:GLN136 4.8 14.1 1.0
CA A:LEU204 4.9 10.2 1.0
C A:CYS206 4.9 13.6 0.1
C A:CYS206 4.9 8.8 0.8
CB A:VAL135 4.9 13.2 1.0
CA A:PRO138 5.0 11.9 1.0

Reference:

S.Gloeckner, M.Haake, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm To Be Published.
Page generated: Sun Dec 13 19:16:53 2020

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