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Mercury in PDB 6sg6: Human Carbonic Anhydrase II in Complex with Furan-Containing Benzenesulfonamide

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

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

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with Furan-Containing Benzenesulfonamide, PDB code: 6sg6 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) 39.98 / 0.98
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.336, 41.664, 72.230, 90.00, 104.42, 90.00
R / Rfree (%) 12.2 / 13.5

Other elements in 6sg6:

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

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

Mercury Binding Sites:

The binding sites of Mercury atom in the Human Carbonic Anhydrase II in Complex with Furan-Containing Benzenesulfonamide (pdb code 6sg6). 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 Furan-Containing Benzenesulfonamide, PDB code: 6sg6:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in 6sg6

Go back to Mercury Binding Sites List in 6sg6
Mercury binding site 1 out of 2 in the Human Carbonic Anhydrase II in Complex with 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 Furan-Containing Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg303

b:9.9
occ:0.40
HG A:BE7303 0.0 9.9 0.4
HG A:BE7303 1.1 8.3 0.4
C5 A:BE7303 1.7 8.2 0.4
C4 A:BE7303 2.2 9.6 0.4
C5 A:BE7303 2.3 11.0 0.4
SG A:CYS206 2.3 10.7 0.6
O A:GLN137 2.8 9.0 0.3
C6 A:BE7303 2.9 9.8 0.4
O A:GLU205 2.9 10.4 1.0
O A:GLN137 3.0 8.4 0.7
HA A:CYS206 3.1 12.5 0.4
HA A:CYS206 3.1 8.0 0.6
C4 A:BE7303 3.2 12.9 0.4
SG A:CYS206 3.2 7.2 0.4
C6 A:BE7303 3.2 12.5 0.4
C A:GLU205 3.3 8.5 1.0
HA A:PRO138 3.3 11.1 1.0
C A:GLN137 3.3 9.0 0.3
CB A:CYS206 3.4 9.9 0.6
C A:GLN137 3.4 8.9 0.7
CA A:CYS206 3.5 6.7 0.6
CA A:CYS206 3.5 10.4 0.4
N A:CYS206 3.5 10.1 0.4
H A:GLN137 3.6 11.4 0.7
HB3 A:CYS206 3.6 12.0 0.4
C3 A:BE7303 3.6 11.8 0.4
HB3 A:CYS206 3.6 11.8 0.6
CB A:CYS206 3.6 10.0 0.4
N A:CYS206 3.6 6.4 0.6
H A:GLN137 3.6 11.8 0.3
O A:HOH534 3.7 20.4 1.0
H A:GLU205 3.7 10.4 1.0
N A:GLN137 3.7 9.5 0.7
N A:GLN137 3.8 9.8 0.3
N A:PRO138 3.9 9.3 1.0
HB3 A:LEU204 3.9 13.1 1.0
O A:VAL135 4.0 12.4 1.0
N A:GLU205 4.0 8.7 1.0
CA A:PRO138 4.0 9.2 1.0
C7 A:BE7303 4.0 11.7 0.4
CA A:GLN137 4.1 9.6 0.7
CA A:GLN137 4.1 9.4 0.3
H A:CYS206 4.1 12.1 0.4
CA A:GLU205 4.2 8.7 1.0
HB2 A:CYS206 4.2 11.8 0.6
C A:GLN136 4.2 10.4 1.0
C2 A:BE7303 4.3 13.1 0.4
H A:CYS206 4.3 7.7 0.6
HA A:GLN136 4.4 13.4 1.0
HB2 A:GLU205 4.4 11.9 1.0
HA A:GLN137 4.4 11.6 0.7
HA A:GLN137 4.4 11.3 0.3
C3 A:BE7303 4.5 13.3 0.4
C A:VAL135 4.5 10.2 1.0
C7 A:BE7303 4.5 13.2 0.4
HB2 A:CYS206 4.6 12.0 0.4
HA A:VAL135 4.6 11.9 1.0
HD3 A:PRO138 4.7 13.0 1.0
CA A:GLN136 4.7 11.2 1.0
HB3 A:PRO138 4.7 13.0 1.0
C A:LEU204 4.7 8.2 1.0
O A:GLN136 4.8 11.8 1.0
CB A:GLU205 4.8 9.9 1.0
CB A:LEU204 4.9 10.9 1.0
CD A:PRO138 4.9 10.8 1.0
N A:GLN136 4.9 10.3 1.0
HA A:GLU205 5.0 10.4 1.0
C A:CYS206 5.0 7.3 0.6

Mercury binding site 2 out of 2 in 6sg6

Go back to Mercury Binding Sites List in 6sg6
Mercury binding site 2 out of 2 in the Human Carbonic Anhydrase II in Complex with 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 Furan-Containing Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg303

b:8.3
occ:0.41
HG A:BE7303 0.0 8.3 0.4
HG A:BE7303 1.1 9.9 0.4
SG A:CYS206 1.4 10.7 0.6
C5 A:BE7303 2.2 8.2 0.4
SG A:CYS206 2.3 7.2 0.4
CB A:CYS206 2.9 9.9 0.6
O A:GLN137 3.0 9.0 0.3
O A:VAL135 3.0 12.4 1.0
C6 A:BE7303 3.1 9.8 0.4
HB3 A:CYS206 3.1 11.8 0.6
CB A:CYS206 3.1 10.0 0.4
HB3 A:CYS206 3.1 12.0 0.4
C4 A:BE7303 3.1 9.6 0.4
O A:GLN137 3.2 8.4 0.7
H A:GLN137 3.2 11.4 0.7
HB3 A:LEU204 3.3 13.1 1.0
HA A:CYS206 3.3 12.5 0.4
H A:GLN137 3.3 11.8 0.3
HA A:CYS206 3.3 8.0 0.6
C5 A:BE7303 3.3 11.0 0.4
CA A:CYS206 3.5 6.7 0.6
CA A:CYS206 3.5 10.4 0.4
C A:VAL135 3.6 10.2 1.0
HB2 A:CYS206 3.6 11.8 0.6
N A:CYS206 3.6 10.1 0.4
N A:GLN137 3.6 9.5 0.7
N A:GLN137 3.6 9.8 0.3
HA A:VAL135 3.6 11.9 1.0
C A:GLU205 3.7 8.5 1.0
O A:GLU205 3.7 10.4 1.0
N A:CYS206 3.7 6.4 0.6
C A:GLN137 3.7 9.0 0.3
C A:GLN137 3.7 8.9 0.7
H A:GLU205 3.9 10.4 1.0
O A:HOH534 3.9 20.4 1.0
HA A:GLN136 3.9 13.4 1.0
H A:CYS206 4.0 12.1 0.4
HB2 A:CYS206 4.0 12.0 0.4
C6 A:BE7303 4.1 12.5 0.4
N A:GLU205 4.1 8.7 1.0
C A:GLN136 4.1 10.4 1.0
HA A:PRO138 4.1 11.1 1.0
CA A:VAL135 4.2 9.9 1.0
CB A:LEU204 4.2 10.9 1.0
N A:GLN136 4.2 10.3 1.0
H A:CYS206 4.2 7.7 0.6
C4 A:BE7303 4.3 12.9 0.4
CA A:GLN136 4.3 11.2 1.0
CA A:GLN137 4.3 9.6 0.7
CA A:GLN137 4.3 9.4 0.3
HB2 A:LEU204 4.3 13.1 1.0
C7 A:BE7303 4.4 11.7 0.4
HB A:VAL135 4.4 12.8 1.0
C3 A:BE7303 4.4 11.8 0.4
HD13 A:LEU204 4.5 18.3 1.0
CA A:GLU205 4.5 8.7 1.0
C A:LEU204 4.5 8.2 1.0
N A:PRO138 4.5 9.3 1.0
O A:ALA134 4.6 9.6 1.0
HD22 A:LEU204 4.7 20.2 1.0
HA A:GLN137 4.7 11.6 0.7
HA A:GLN137 4.7 11.3 0.3
CA A:PRO138 4.8 9.2 1.0
CA A:LEU204 4.9 8.8 1.0
H A:GLN136 4.9 12.3 1.0
O A:GLN136 4.9 11.8 1.0
CB A:VAL135 4.9 10.6 1.0
C2 A:BE7303 4.9 13.1 0.4
C A:CYS206 4.9 7.3 0.6
HA A:LEU204 5.0 10.6 1.0
O A:HOH463 5.0 28.1 1.0
C A:CYS206 5.0 8.4 0.4

Reference:

S.Gloeckner, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with Furan-Containing Benzenesulfonamide To Be Published.
Page generated: Sun Dec 13 19:17:56 2020

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