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Mercury in PDB 6sfu: Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide

Enzymatic activity of Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide, PDB code: 6sfu 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) 29.24 / 1.04
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.447, 41.620, 72.401, 90.00, 104.56, 90.00
R / Rfree (%) 12.6 / 13.8

Other elements in 6sfu:

The structure of Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Sodium (Na) 2 atoms

Mercury Binding Sites:

The binding sites of Mercury atom in the Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide (pdb code 6sfu). 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 A Furan-Containing Benzenesulfonamide, PDB code: 6sfu:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in 6sfu

Go back to Mercury Binding Sites List in 6sfu
Mercury binding site 1 out of 2 in the Human Carbonic Anhydrase II in Complex with A Furan-Containing 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 A Furan-Containing Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg302

b:6.9
occ:0.35
 HG A:BE7306 1.1 8.6 0.5
SG A:CYS206 1.5 9.0 0.7
HB3 A:CYS206 2.2 11.0 0.3
SG A:CYS206 2.4 6.8 0.3
CB A:CYS206 2.7 9.2 0.3
CB A:CYS206 2.9 6.9 0.7
O A:GLN137 3.0 7.4 0.7
O A:VAL135 3.1 11.1 1.0
HB3 A:CYS206 3.2 8.3 0.7
H A:GLN137 3.2 9.7 0.7
HB3 A:LEU204 3.3 10.5 1.0
H A:GLN137 3.3 9.8 0.3
HA A:CYS206 3.3 6.4 0.7
C5 A:BE7306 3.3 9.1 0.5
O A:GLN137 3.3 7.2 0.3
HB2 A:CYS206 3.5 11.0 0.3
CA A:CYS206 3.5 8.0 0.3
CA A:CYS206 3.5 5.3 0.7
HA A:CYS206 3.5 9.6 0.3
C A:VAL135 3.5 8.8 1.0
N A:GLN137 3.6 8.1 0.7
N A:GLN137 3.6 8.2 0.3
N A:CYS206 3.6 7.5 0.3
HA A:VAL135 3.6 10.2 1.0
HB2 A:CYS206 3.7 8.3 0.7
N A:CYS206 3.7 5.7 0.7
C A:GLU205 3.7 6.9 1.0
C A:GLN137 3.7 7.2 0.7
O A:GLU205 3.7 8.9 1.0
C A:GLN137 3.8 7.6 0.3
O A:HOH548 3.9 19.2 1.0
HA A:GLN136 3.9 11.3 1.0
H A:GLU205 3.9 8.4 1.0
H A:CYS206 4.0 8.9 0.3
C A:GLN136 4.1 8.8 1.0
N A:GLU205 4.1 7.0 1.0
C6 A:BE7306 4.1 10.3 0.5
N A:GLN136 4.1 8.9 1.0
CA A:VAL135 4.1 8.6 1.0
HA A:PRO138 4.2 10.0 1.0
CB A:LEU204 4.2 8.8 1.0
H A:CYS206 4.2 6.9 0.7
CA A:GLN136 4.2 9.4 1.0
C4 A:BE7306 4.3 10.7 0.5
CA A:GLN137 4.3 7.8 0.7
CA A:GLN137 4.3 7.8 0.3
HB2 A:LEU204 4.4 10.5 1.0
HB A:VAL135 4.4 11.9 1.0
C A:LEU204 4.5 6.8 1.0
HD13 A:LEU204 4.5 15.6 1.0
CA A:GLU205 4.5 7.5 1.0
N A:PRO138 4.6 7.8 1.0
O A:ALA134 4.6 8.2 1.0
HD22 A:LEU204 4.7 16.8 1.0
HA A:GLN137 4.7 9.3 0.7
HA A:GLN137 4.7 9.4 0.3
H A:GLN136 4.8 10.7 1.0
CA A:PRO138 4.8 8.4 1.0
O A:GLN136 4.8 10.2 1.0
CA A:LEU204 4.9 7.2 1.0
CB A:VAL135 4.9 9.9 1.0
C A:CYS206 4.9 7.5 0.3
C A:CYS206 5.0 5.7 0.7
HA A:LEU204 5.0 8.7 1.0

Mercury binding site 2 out of 2 in 6sfu

Go back to Mercury Binding Sites List in 6sfu
Mercury binding site 2 out of 2 in the Human Carbonic Anhydrase II in Complex with A Furan-Containing 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 A Furan-Containing Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg306

b:8.6
occ:0.48
 HG A:BE7306 0.0 8.6 0.5
HG A:HG302 1.1 6.9 0.3
C5 A:BE7306 2.3 9.1 0.5
SG A:CYS206 2.4 9.0 0.7
HB3 A:CYS206 2.5 11.0 0.3
O A:GLN137 2.9 7.4 0.7
O A:GLU205 3.0 8.9 1.0
HA A:CYS206 3.1 6.4 0.7
CB A:CYS206 3.1 9.2 0.3
C4 A:BE7306 3.1 10.7 0.5
O A:GLN137 3.2 7.2 0.3
C6 A:BE7306 3.2 10.3 0.5
HA A:CYS206 3.3 9.6 0.3
C A:GLN137 3.3 7.2 0.7
HA A:PRO138 3.3 10.0 1.0
SG A:CYS206 3.3 6.8 0.3
C A:GLU205 3.3 6.9 1.0
C A:GLN137 3.4 7.6 0.3
CB A:CYS206 3.5 6.9 0.7
CA A:CYS206 3.5 8.0 0.3
H A:GLN137 3.5 9.7 0.7
CA A:CYS206 3.5 5.3 0.7
H A:GLN137 3.6 9.8 0.3
N A:CYS206 3.6 7.5 0.3
N A:CYS206 3.7 5.7 0.7
O A:HOH548 3.7 19.2 1.0
N A:GLN137 3.7 8.1 0.7
HB3 A:CYS206 3.7 8.3 0.7
N A:GLN137 3.7 8.2 0.3
H A:GLU205 3.8 8.4 1.0
N A:PRO138 3.9 7.8 1.0
HB2 A:CYS206 4.0 11.0 0.3
HB3 A:LEU204 4.0 10.5 1.0
O A:VAL135 4.0 11.1 1.0
CA A:PRO138 4.0 8.4 1.0
CA A:GLN137 4.0 7.8 0.7
N A:GLU205 4.1 7.0 1.0
CA A:GLN137 4.1 7.8 0.3
C A:GLN136 4.2 8.8 1.0
H A:CYS206 4.2 8.9 0.3
CA A:GLU205 4.2 7.5 1.0
HB2 A:CYS206 4.3 8.3 0.7
HA A:GLN136 4.3 11.3 1.0
H A:CYS206 4.3 6.9 0.7
HA A:GLN137 4.4 9.3 0.7
HA A:GLN137 4.4 9.4 0.3
HB2 A:GLU205 4.4 9.7 1.0
C3 A:BE7306 4.4 11.1 0.5
C A:VAL135 4.5 8.8 1.0
C7 A:BE7306 4.5 11.0 0.5
HA A:VAL135 4.6 10.2 1.0
HD3 A:PRO138 4.6 11.3 1.0
CA A:GLN136 4.7 9.4 1.0
O A:GLN136 4.7 10.2 1.0
HB3 A:PRO138 4.7 12.0 1.0
C A:LEU204 4.8 6.8 1.0
N A:GLN136 4.9 8.9 1.0
CB A:GLU205 4.9 8.1 1.0
CD A:PRO138 4.9 9.4 1.0
CB A:LEU204 4.9 8.8 1.0
C2 A:BE7306 5.0 12.0 0.5
C A:CYS206 5.0 5.7 0.7

Reference:

S.Gloeckner, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide To Be Published.
Page generated: Sun Aug 11 08:18:43 2024

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