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Mercury in PDB 6sbl: Human Carbonic Anhydrase II in Complex with 4-Hexylbenzenesulfonamide

Enzymatic activity of Human Carbonic Anhydrase II in Complex with 4-Hexylbenzenesulfonamide

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with 4-Hexylbenzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with 4-Hexylbenzenesulfonamide, PDB code: 6sbl was solved by S.Gloeckner, K.Ngo, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.03 / 0.94
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.339, 41.568, 72.026, 90.00, 104.30, 90.00
R / Rfree (%) 12.1 / 13.7

Other elements in 6sbl:

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

Mercury binding site 1 out of 2 in 6sbl

Go back to Mercury Binding Sites List in 6sbl
Mercury binding site 1 out of 2 in the Human Carbonic Anhydrase II in Complex with 4-Hexylbenzenesulfonamide


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-Hexylbenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg305

b:8.4
occ:0.52
HG A:BE7305 0.0 8.4 0.5
HG A:HG308 1.1 8.9 0.3
SG A:CYS206 1.6 10.9 0.3
HB3 A:CYS206 1.9 15.7 0.2
C5 A:BE7305 2.2 9.3 0.5
SG A:CYS206 2.3 8.9 0.5
CB A:CYS206 2.8 13.1 0.2
CB A:CYS206 3.0 9.5 0.3
O A:VAL135 3.0 11.6 1.0
C6 A:BE7305 3.1 9.8 0.5
C4 A:BE7305 3.1 10.1 0.5
O A:GLN137 3.1 8.1 0.6
O A:GLN137 3.1 8.6 0.4
CB A:CYS206 3.1 8.5 0.5
HB3 A:LEU204 3.2 10.9 1.0
HB3 A:CYS206 3.2 10.2 0.5
HB3 A:CYS206 3.2 11.3 0.3
H A:GLN137 3.3 11.2 0.4
H A:GLN137 3.3 10.6 0.6
HA A:CYS206 3.3 8.2 0.5
HA A:CYS206 3.4 8.2 0.3
HB2 A:CYS206 3.4 15.7 0.2
HA A:CYS206 3.5 12.8 0.2
CA A:CYS206 3.5 6.9 0.5
CA A:CYS206 3.5 6.9 0.3
CA A:CYS206 3.5 10.6 0.2
C A:VAL135 3.6 9.5 1.0
N A:CYS206 3.6 6.9 0.5
N A:CYS206 3.6 6.9 0.3
N A:GLN137 3.6 9.3 0.4
N A:GLN137 3.6 8.8 0.6
N A:CYS206 3.6 8.7 0.2
C A:GLU205 3.7 7.4 1.0
C A:GLN137 3.7 8.4 0.4
C A:GLN137 3.7 7.6 0.6
O A:GLU205 3.7 9.6 1.0
HB2 A:CYS206 3.7 11.3 0.3
HA A:VAL135 3.7 11.7 1.0
SG A:CYS206 3.8 14.2 0.2
O A:HOH538 3.8 20.2 1.0
H A:GLU205 3.8 8.9 1.0
HG A:CYS206 3.9 17.1 0.2
HA A:GLN136 4.0 13.0 1.0
HB2 A:CYS206 4.0 10.2 0.5
N A:GLU205 4.0 7.4 1.0
H A:CYS206 4.0 8.3 0.5
H A:CYS206 4.1 8.3 0.3
CB A:LEU204 4.1 9.1 1.0
H A:CYS206 4.1 10.4 0.2
HA A:PRO138 4.1 10.5 1.0
C A:GLN136 4.1 9.7 1.0
N A:GLN136 4.2 9.8 1.0
CA A:VAL135 4.2 9.8 1.0
CA A:GLN137 4.2 9.1 0.4
CA A:GLN137 4.3 8.2 0.6
HB2 A:LEU204 4.3 10.9 1.0
CA A:GLN136 4.3 10.8 1.0
HD13 A:LEU204 4.3 15.8 1.0
C3 A:BE7305 4.4 12.1 0.5
C7 A:BE7305 4.4 11.9 0.5
C A:LEU204 4.4 7.2 1.0
HD22 A:LEU204 4.5 16.3 1.0
CA A:GLU205 4.5 7.1 1.0
HB A:VAL135 4.5 12.9 1.0
N A:PRO138 4.5 8.5 1.0
O A:ALA134 4.7 9.2 1.0
HA A:GLN137 4.7 9.8 0.6
HA A:GLN137 4.7 11.0 0.4
CA A:PRO138 4.8 8.7 1.0
CA A:LEU204 4.8 7.8 1.0
O A:GLN136 4.9 10.9 1.0
C2 A:BE7305 4.9 12.6 0.5
H A:GLN136 4.9 11.8 1.0
C A:CYS206 4.9 10.6 0.2
HA A:LEU204 4.9 9.4 1.0
C A:CYS206 5.0 7.2 0.5
C A:CYS206 5.0 6.1 0.3
CB A:VAL135 5.0 10.7 1.0
O A:LEU204 5.0 7.0 1.0

Mercury binding site 2 out of 2 in 6sbl

Go back to Mercury Binding Sites List in 6sbl
Mercury binding site 2 out of 2 in the Human Carbonic Anhydrase II in Complex with 4-Hexylbenzenesulfonamide


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-Hexylbenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg308

b:8.9
occ:0.32
HG A:BE7305 1.1 8.4 0.5
C5 A:BE7305 1.7 9.3 0.5
C4 A:BE7305 2.2 10.1 0.5
SG A:CYS206 2.5 10.9 0.3
HB3 A:CYS206 2.5 15.7 0.2
C6 A:BE7305 2.9 9.8 0.5
O A:GLU205 3.0 9.6 1.0
O A:GLN137 3.0 8.1 0.6
O A:GLN137 3.0 8.6 0.4
HA A:CYS206 3.1 8.2 0.5
SG A:CYS206 3.1 8.9 0.5
HA A:CYS206 3.1 8.2 0.3
HA A:CYS206 3.2 12.8 0.2
C A:GLU205 3.3 7.4 1.0
HA A:PRO138 3.3 10.5 1.0
CB A:CYS206 3.3 13.1 0.2
C A:GLN137 3.3 8.4 0.4
C A:GLN137 3.3 7.6 0.6
CB A:CYS206 3.4 9.5 0.3
C3 A:BE7305 3.5 12.1 0.5
CA A:CYS206 3.5 6.9 0.5
CA A:CYS206 3.5 10.6 0.2
CA A:CYS206 3.5 6.9 0.3
O A:HOH538 3.5 20.2 1.0
N A:CYS206 3.5 6.9 0.5
N A:CYS206 3.6 6.9 0.3
N A:CYS206 3.6 8.7 0.2
CB A:CYS206 3.6 8.5 0.5
HB3 A:CYS206 3.6 10.2 0.5
H A:GLN137 3.7 11.2 0.4
H A:GLU205 3.7 8.9 1.0
H A:GLN137 3.7 10.6 0.6
HB3 A:CYS206 3.7 11.3 0.3
N A:GLN137 3.8 9.3 0.4
HB3 A:LEU204 3.8 10.9 1.0
N A:GLN137 3.8 8.8 0.6
HB2 A:CYS206 3.9 15.7 0.2
N A:PRO138 3.9 8.5 1.0
N A:GLU205 3.9 7.4 1.0
O A:VAL135 4.0 11.6 1.0
C7 A:BE7305 4.0 11.9 0.5
CA A:PRO138 4.0 8.7 1.0
CA A:GLN137 4.1 9.1 0.4
CA A:GLN137 4.1 8.2 0.6
CA A:GLU205 4.1 7.1 1.0
H A:CYS206 4.2 8.3 0.5
H A:CYS206 4.2 8.3 0.3
H A:CYS206 4.2 10.4 0.2
C2 A:BE7305 4.2 12.6 0.5
HB2 A:CYS206 4.3 11.3 0.3
C A:GLN136 4.3 9.7 1.0
HB2 A:GLU205 4.4 10.0 1.0
HA A:GLN137 4.4 9.8 0.6
HA A:GLN137 4.4 11.0 0.4
HA A:GLN136 4.4 13.0 1.0
SG A:CYS206 4.5 14.2 0.2
C A:VAL135 4.5 9.5 1.0
HB2 A:CYS206 4.5 10.2 0.5
HD3 A:PRO138 4.6 12.2 1.0
C A:LEU204 4.7 7.2 1.0
HA A:VAL135 4.7 11.7 1.0
CB A:LEU204 4.7 9.1 1.0
HB3 A:PRO138 4.7 13.0 1.0
CA A:GLN136 4.8 10.8 1.0
CB A:GLU205 4.8 8.3 1.0
O A:GLN136 4.8 10.9 1.0
HG A:CYS206 4.8 17.1 0.2
CD A:PRO138 4.9 10.2 1.0
HD22 A:LEU204 4.9 16.3 1.0
N A:GLN136 4.9 9.8 1.0
HA A:GLU205 4.9 8.5 1.0
C A:CYS206 5.0 10.6 0.2

Reference:

S.Gloeckner, K.Ngo, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with 4-Hexylbenzenesulfonamide To Be Published.
Page generated: Sun Dec 13 19:16:17 2020

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