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Mercury in PDB 6rg5: Human Carbonic Anhydrase II in Complex with 4-(2-Hydroxyethyl) Benzenesulfonamide

Enzymatic activity of Human Carbonic Anhydrase II in Complex with 4-(2-Hydroxyethyl) Benzenesulfonamide

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with 4-(2-Hydroxyethyl) Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with 4-(2-Hydroxyethyl) Benzenesulfonamide, PDB code: 6rg5 was solved by S.Gloeckner, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.83 / 1.09
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.463, 41.569, 72.290, 90.00, 104.61, 90.00
R / Rfree (%) 11.1 / 12.7

Other elements in 6rg5:

The structure of Human Carbonic Anhydrase II in Complex with 4-(2-Hydroxyethyl) Benzenesulfonamide 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 4-(2-Hydroxyethyl) Benzenesulfonamide (pdb code 6rg5). 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 4-(2-Hydroxyethyl) Benzenesulfonamide, PDB code: 6rg5:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in 6rg5

Go back to Mercury Binding Sites List in 6rg5
Mercury binding site 1 out of 2 in the Human Carbonic Anhydrase II in Complex with 4-(2-Hydroxyethyl) Benzenesulfonamide


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 4-(2-Hydroxyethyl) Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg302

b:10.0
occ:0.21
HG A:BE7303 1.2 9.1 0.8
SG A:CYS206 1.4 7.4 0.8
HB3 A:CYS206 2.1 10.3 0.2
SG A:CYS206 2.4 8.7 0.2
O A:HOH516 2.6 15.3 1.0
CB A:CYS206 2.6 8.6 0.2
CB A:CYS206 2.9 6.6 0.8
O A:VAL135 3.0 11.8 1.0
HB3 A:CYS206 3.1 7.9 0.8
C5 A:BE7303 3.2 9.9 0.8
HB3 A:LEU204 3.2 9.1 1.0
O A:GLN137 3.2 8.2 1.0
H A:GLN137 3.3 10.8 1.0
HA A:CYS206 3.4 6.7 0.8
HB2 A:CYS206 3.4 10.3 0.2
C A:VAL135 3.5 9.9 1.0
CA A:CYS206 3.5 5.6 0.8
CA A:CYS206 3.5 7.4 0.2
HA A:CYS206 3.6 8.8 0.2
HA A:VAL135 3.6 12.0 1.0
HB2 A:CYS206 3.6 7.9 0.8
N A:CYS206 3.7 6.8 0.2
N A:GLN137 3.7 9.0 1.0
N A:CYS206 3.7 5.6 0.8
HA A:GLN136 3.8 13.3 0.6
C A:GLU205 3.8 6.0 1.0
C A:GLN137 3.9 8.0 1.0
O A:GLU205 3.9 8.0 1.0
HA A:GLN136 3.9 13.3 0.5
C6 A:BE7303 4.0 10.8 0.8
H A:GLU205 4.0 7.3 1.0
H A:CYS206 4.1 8.2 0.2
CA A:VAL135 4.1 10.0 1.0
C A:GLN136 4.1 9.9 0.5
N A:GLN136 4.1 10.1 0.6
C A:GLN136 4.1 9.6 0.6
N A:GLN136 4.1 10.2 0.5
CB A:LEU204 4.1 7.6 1.0
N A:GLU205 4.2 6.0 1.0
C4 A:BE7303 4.2 10.6 0.8
H A:CYS206 4.2 6.7 0.8
CA A:GLN136 4.2 11.1 0.6
CA A:GLN136 4.3 11.1 0.5
HA A:PRO138 4.3 10.5 0.5
HB2 A:LEU204 4.3 9.1 1.0
HD13 A:LEU204 4.3 13.9 1.0
HB A:VAL135 4.3 13.2 1.0
HA A:PRO138 4.4 9.9 0.5
CA A:GLN137 4.4 8.2 1.0
C A:LEU204 4.5 5.6 1.0
O A:ALA134 4.6 8.9 1.0
CA A:GLU205 4.6 6.3 1.0
N A:PRO138 4.7 8.0 0.5
HD22 A:LEU204 4.7 14.7 1.0
N A:PRO138 4.7 8.3 0.5
H A:GLN136 4.8 12.1 0.6
H A:GLN136 4.8 12.2 0.5
CB A:VAL135 4.8 11.0 1.0
O A:GLN136 4.8 10.8 0.5
HA A:GLN137 4.9 9.9 1.0
CA A:LEU204 4.9 6.4 1.0
O A:GLN136 4.9 10.6 0.6
C A:CYS206 4.9 6.4 0.2
CA A:PRO138 5.0 8.8 0.5
C A:CYS206 5.0 5.3 0.8
CA A:PRO138 5.0 8.2 0.5

Mercury binding site 2 out of 2 in 6rg5

Go back to Mercury Binding Sites List in 6rg5
Mercury binding site 2 out of 2 in the Human Carbonic Anhydrase II in Complex with 4-(2-Hydroxyethyl) Benzenesulfonamide


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 4-(2-Hydroxyethyl) Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg303

b:9.1
occ:0.79
HG A:BE7303 0.0 9.1 0.8
HG A:HG302 1.2 10.0 0.2
C5 A:BE7303 2.1 9.9 0.8
HB3 A:CYS206 2.3 10.3 0.2
SG A:CYS206 2.4 7.4 0.8
O A:GLN137 3.0 8.2 1.0
O A:HOH516 3.0 15.3 1.0
C4 A:BE7303 3.0 10.6 0.8
C6 A:BE7303 3.0 10.8 0.8
CB A:CYS206 3.0 8.6 0.2
HA A:CYS206 3.1 6.7 0.8
O A:GLU205 3.2 8.0 1.0
HA A:CYS206 3.2 8.8 0.2
HA A:PRO138 3.3 10.5 0.5
SG A:CYS206 3.4 8.7 0.2
C A:GLN137 3.4 8.0 1.0
CB A:CYS206 3.4 6.6 0.8
HA A:PRO138 3.4 9.9 0.5
C A:GLU205 3.4 6.0 1.0
CA A:CYS206 3.5 7.4 0.2
CA A:CYS206 3.5 5.6 0.8
HB3 A:CYS206 3.6 7.9 0.8
H A:GLN137 3.6 10.8 1.0
N A:CYS206 3.6 6.8 0.2
N A:CYS206 3.7 5.6 0.8
N A:GLN137 3.7 9.0 1.0
HB2 A:CYS206 3.9 10.3 0.2
N A:PRO138 3.9 8.0 0.5
H A:GLU205 3.9 7.3 1.0
N A:PRO138 3.9 8.3 0.5
HB3 A:LEU204 4.0 9.1 1.0
CA A:PRO138 4.1 8.8 0.5
O A:VAL135 4.1 11.8 1.0
CA A:PRO138 4.1 8.2 0.5
CA A:GLN137 4.1 8.2 1.0
C A:GLN136 4.2 9.9 0.5
N A:GLU205 4.2 6.0 1.0
C A:GLN136 4.2 9.6 0.6
HB2 A:CYS206 4.2 7.9 0.8
H A:CYS206 4.2 8.2 0.2
HA A:GLN136 4.3 13.3 0.6
H A:CYS206 4.3 6.7 0.8
C7 A:BE7303 4.3 11.5 0.8
C3 A:BE7303 4.4 11.6 0.8
CA A:GLU205 4.4 6.3 1.0
HA A:GLN136 4.4 13.3 0.5
HA A:GLN137 4.4 9.9 1.0
C A:VAL135 4.5 9.9 1.0
HB2 A:GLU205 4.6 7.9 1.0
HA A:VAL135 4.6 12.0 1.0
HD3 A:PRO138 4.7 10.5 0.5
CA A:GLN136 4.7 11.1 0.6
O A:GLN136 4.7 10.8 0.5
CA A:GLN136 4.7 11.1 0.5
O A:GLN136 4.8 10.6 0.6
HD3 A:PRO138 4.8 12.2 0.5
N A:GLN136 4.8 10.1 0.6
CD A:PRO138 4.8 8.8 0.5
HB3 A:PRO138 4.8 12.9 0.5
N A:GLN136 4.8 10.2 0.5
C A:LEU204 4.9 5.6 1.0
C A:PRO138 4.9 7.8 0.5
C2 A:BE7303 4.9 11.6 0.8
CB A:LEU204 4.9 7.6 1.0
HG3 A:PRO138 4.9 12.0 0.5
C A:CYS206 5.0 5.3 0.8
C A:CYS206 5.0 6.4 0.2
C A:PRO138 5.0 8.1 0.5

Reference:

S.Gloeckner, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with 4-(2-Hydroxyethyl)Benzenesulfonamide To Be Published.
Page generated: Sun Aug 11 07:35:55 2024

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